1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol

C15H32O2Si — CID 150300932

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol
SMILESCC(C)CC(C)C=CC(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-12(2)11-13(3)9-10-14(16)17-18(7,8)15(4,5)6/h9-10,12-14,16H,11H2,1-8H3
InChIKeyGJPCVQUURYZTQF-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.57
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol

1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol (PubChem CID 150300932) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol
PubChem CID150300932
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol
SMILESCC(C)CC(C)C=CC(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-12(2)11-13(3)9-10-14(16)17-18(7,8)15(4,5)6/h9-10,12-14,16H,11H2,1-8H3
InChIKeyGJPCVQUURYZTQF-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-yn-1-ol
CID 135021699
(2E,7Z)-9-[tert-butyl(dimethyl)silyl]oxynona-2,7-dien-1-ol
CID 101171663
(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trien-1-ol
CID 17802120
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
6-[Tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 54411232
(2E,5E,7S,8S)-3,7-dimethyl-8-[(triethylsilyl)oxy]deca-2,5-dien-1-ol
CID 86618041
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
CID 87615149
CID 87732956
CID 87732956
(E)-1-[tert-butyl(dimethyl)silyl]peroxynon-2-en-1-ol
CID 87751128
(Z)-6-[hydroxy(dimethyl)silyl]-6-methylhept-2-en-1-ol
CID 88273013
(Z,2S)-7-[hydroxy(dimethyl)silyl]-7-methyloct-3-en-2-ol
CID 89294676
(7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol
CID 91254010

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol (CID 150300932) is 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol is CC(C)CC(C)C=CC(O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol?
The InChIKey is GJPCVQUURYZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-12(2)11-13(3)9-10-14(16)17-18(7,8)15(4,5)6/h9-10,12-14,16H,11H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol?
1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-en-1-ol is sourced from PubChem (CID 150300932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).