(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol

C14H30O2Si — CID 71503861

IUPAC(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-12(2)13(15)10-9-11-16-17(6,7)14(3,4)5/h8,12-13,15H,1,9-11H2,2-7H3/t12-,13-/m1/s1
InChIKeyYNIFVCOULGUFNA-CHWSQXEVSA-N
MW258.48 g/mol
LogP3.97
Rot. Bonds7

About (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol

(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol (PubChem CID 71503861) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol
PubChem CID71503861
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-12(2)13(15)10-9-11-16-17(6,7)14(3,4)5/h8,12-13,15H,1,9-11H2,2-7H3/t12-,13-/m1/s1
InChIKeyYNIFVCOULGUFNA-CHWSQXEVSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol 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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10868990
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10967188
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
The IUPAC name of (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol (CID 71503861) is (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol.
What is the SMILES notation for (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
The canonical SMILES for (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol is C=C[C@@H](C)[C@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
The InChIKey is YNIFVCOULGUFNA-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-12(2)13(15)10-9-11-16-17(6,7)14(3,4)5/h8,12-13,15H,1,9-11H2,2-7H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol?
(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol has a molecular weight of 258.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol is sourced from PubChem (CID 71503861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).