(1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol

C12H24OSi — CID 135043602

IUPAC(1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol
SMILESC=CCC(C1CC[C@H](O)C1)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-6-12(14(2,3)4)10-7-8-11(13)9-10/h5,10-13H,1,6-9H2,2-4H3/t10?,11-,12?/m0/s1
InChIKeyIQCIITKAMQMDPT-CXQJBGSLSA-N
MW212.41 g/mol
LogP3.43
Rot. Bonds4

About (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol

(1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol (PubChem CID 135043602) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol
PubChem CID135043602
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol
SMILESC=CCC(C1CC[C@H](O)C1)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-6-12(14(2,3)4)10-7-8-11(13)9-10/h5,10-13H,1,6-9H2,2-4H3/t10?,11-,12?/m0/s1
InChIKeyIQCIITKAMQMDPT-CXQJBGSLSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
(E)-1-cyclohexyl-3-triethylsilylprop-2-en-1-ol
CID 10060901
cis-(1R,2S)-2-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-ol
CID 10932774
(1R,2R,3R)-2-prop-2-enyl-3-trimethylsilylcyclohexan-1-ol
CID 10998343
cis-(1S,2R)-2-[(Z)-2-trimethylsilylethenyl]cyclopentan-1-ol
CID 11344422
cis-(1S,2R)-2-[(Z)-2-trimethylsilylethenyl]cyclohexan-1-ol
CID 12023488
trans-(1R,2R)-2-(1-trimethylsilylprop-2-enyl)cyclohexan-1-ol
CID 14203372
(1R,2R,3R)-2-prop-2-enyl-3-trimethylsilylcyclopentan-1-ol
CID 15248227
(1R,2R,3R)-2-(2-methylprop-2-enyl)-3-trimethylsilylcyclopentan-1-ol
CID 15248228
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-ol
CID 101593845
cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol
CID 122216041
2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]ethanol
CID 134861709

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
The IUPAC name of (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol (CID 135043602) is (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol.
What is the SMILES notation for (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
The canonical SMILES for (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol is C=CCC(C1CC[C@H](O)C1)[Si](C)(C)C.
What is the InChIKey of (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
The InChIKey is IQCIITKAMQMDPT-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-6-12(14(2,3)4)10-7-8-11(13)9-10/h5,10-13H,1,6-9H2,2-4H3/t10?,11-,12?/m0/s1.
What are the key properties of (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
(1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol has a molecular weight of 212.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol is sourced from PubChem (CID 135043602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).