(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol

C14H30O2Si — CID 154715892

IUPAC(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol
SMILESC=CCC[C@@](C)(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-10-14(5,15)11-12-16-17(6,7)13(2,3)4/h8,15H,1,9-12H2,2-7H3/t14-/m1/s1
InChIKeyGCGRNEVSHWBIRA-CQSZACIVSA-N
MW258.48 g/mol
LogP4.12
Rot. Bonds7

About (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol

(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol (PubChem CID 154715892) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol.

Molecular Properties

Compound Name(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol
PubChem CID154715892
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol
SMILESC=CCC[C@@](C)(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-10-14(5,15)11-12-16-17(6,7)13(2,3)4/h8,15H,1,9-12H2,2-7H3/t14-/m1/s1
InChIKeyGCGRNEVSHWBIRA-CQSZACIVSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(3R,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523928
(3S)-3-methylhept-6-ene-1,3-diol
CID 16752801
(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol
CID 134854744
(4R,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 134930486
(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134930487
(3R,4R,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134931033

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol?
The IUPAC name of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol (CID 154715892) is (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol.
What is the SMILES notation for (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol?
The canonical SMILES for (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol is C=CCC[C@@](C)(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol?
The InChIKey is GCGRNEVSHWBIRA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-9-10-14(5,15)11-12-16-17(6,7)13(2,3)4/h8,15H,1,9-12H2,2-7H3/t14-/m1/s1.
What are the key properties of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol?
(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol has a molecular weight of 258.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol is sourced from PubChem (CID 154715892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).