(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol

C15H32O2Si — CID 10516349

IUPAC(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol
SMILESC=C(C)[C@@H](CCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(2)14(9-8-11-16)10-12-17-18(6,7)15(3,4)5/h14,16H,1,8-12H2,2-7H3/t14-/m0/s1
InChIKeyRFHIHTSUFCCGOR-AWEZNQCLSA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds8

About (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol

(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol (PubChem CID 10516349) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol
PubChem CID10516349
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol
SMILESC=C(C)[C@@H](CCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(2)14(9-8-11-16)10-12-17-18(6,7)15(3,4)5/h14,16H,1,8-12H2,2-7H3/t14-/m0/s1
InChIKeyRFHIHTSUFCCGOR-AWEZNQCLSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.36
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

(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol
CID 10943201
4-Methyl-2-(trimethylsilylmethyl)pent-4-en-1-ol
CID 11830158
4-Methyl-2-[tri(propan-2-yl)silylmethyl]pent-4-en-1-ol
CID 15248225
(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol
CID 15602533
2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]ethanol
CID 134861709
2-(2-Methylidenecyclobutyl)-3-trimethylsilylpropan-1-ol
CID 11550184
(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhexan-1-ol
CID 54169619
6-[Tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhexan-1-ol
CID 57193279
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylidenehexan-1-ol
CID 58667950
6-[Tert-butyl(dimethyl)silyl]oxy-3-ethenylhexan-1-ol
CID 85823470
4-Methyl-2-(3-(trimethylsilyl)prop-1-ene-2-yl)pentan-1-ol
CID 86691336
(3S)-3-ethenyl-5-[hydroxy(dimethyl)silyl]-5-methylhexan-1-ol
CID 88943244

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol?
The IUPAC name of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol (CID 10516349) is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol.
What is the SMILES notation for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol?
The canonical SMILES for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol is C=C(C)[C@@H](CCCO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol?
The InChIKey is RFHIHTSUFCCGOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-13(2)14(9-8-11-16)10-12-17-18(6,7)15(3,4)5/h14,16H,1,8-12H2,2-7H3/t14-/m0/s1.
What are the key properties of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol?
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-en-1-ol is sourced from PubChem (CID 10516349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).