tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C38H74O6Si — CID 160868640

IUPACtert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)[C@H](C)/C=C\C(C)[C@H]1OC(C)(C)O[C@H]1CCO.CC(C)[C@H](C)/C=C\C(C)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si.C16H30O3/c1-16(2)17(3)12-13-18(4)20-19(24-22(8,9)25-20)14-15-23-26(10,11)21(5,6)7;1-11(2)12(3)7-8-13(4)15-14(9-10-17)18-16(5,6)19-15/h12-13,16-20H,14-15H2,1-11H3;7-8,11-15,17H,9-10H2,1-6H3/b13-12-;8-7-/t17-,18?,19+,20-;12-,13?,14+,15-/m11/s1
InChIKeySLLTVQBGWMPTPB-RCZLJMOUSA-N
MW655.09 g/mol
LogP9.78
Rot. Bonds14

About tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 160868640) has the molecular formula C38H74O6Si and a molecular weight of 655.09 g/mol. Its IUPAC name is tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Nametert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID160868640
Molecular FormulaC38H74O6Si
Molecular Weight655.09 g/mol
Exact Mass654.53
IUPAC Nametert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)[C@H](C)/C=C\C(C)[C@H]1OC(C)(C)O[C@H]1CCO.CC(C)[C@H](C)/C=C\C(C)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si.C16H30O3/c1-16(2)17(3)12-13-18(4)20-19(24-22(8,9)25-20)14-15-23-26(10,11)21(5,6)7;1-11(2)12(3)7-8-13(4)15-14(9-10-17)18-16(5,6)19-15/h12-13,16-20H,14-15H2,1-11H3;7-8,11-15,17H,9-10H2,1-6H3/b13-12-;8-7-/t17-,18?,19+,20-;12-,13?,14+,15-/m11/s1
InChIKeySLLTVQBGWMPTPB-RCZLJMOUSA-N
XLogP9.78
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.09
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S,5S)-5-[(Z,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304758
2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304780
2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304953
(Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol
CID 59466815
tert-butyl-[2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124818
tert-butyl-[2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124859
(Z,4S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol
CID 68373431
tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 68373432
2-[(4S)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 89902072
tert-butyl-[(Z,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 157231277
tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 157231278
tert-butyl-[2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]ethanol
CID 157318105

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 160868640) is tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CC(C)[C@H](C)/C=C\C(C)[C@H]1OC(C)(C)O[C@H]1CCO.CC(C)[C@H](C)/C=C\C(C)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is SLLTVQBGWMPTPB-RCZLJMOUSA-N. The full InChI is InChI=1S/C22H44O3Si.C16H30O3/c1-16(2)17(3)12-13-18(4)20-19(24-22(8,9)25-20)14-15-23-26(10,11)21(5,6)7;1-11(2)12(3)7-8-13(4)15-14(9-10-17)18-16(5,6)19-15/h12-13,16-20H,14-15H2,1-11H3;7-8,11-15,17H,9-10H2,1-6H3/b13-12-;8-7-/t17-,18?,19+,20-;12-,13?,14+,15-/m11/s1.
What are the key properties of tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 655.09 g/mol, XLogP of 9.78, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane;2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 160868640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).