1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol

C21H42OSn — CID 135005726

IUPAC1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol
SMILESCCCC[Sn](C/C=C/C1(O)CCCCC1)(CCCC)CCCC
InChIInChI=1S/C9H15O.3C4H9.Sn/c1-2-6-9(10)7-4-3-5-8-9;3*1-3-4-2;/h2,6,10H,1,3-5,7-8H2;3*1,3-4H2,2H3;/b6-2+;;;;
InChIKeyJYVYPEXMVCDUHO-GGDCSFEBSA-N
MW429.28 g/mol
LogP7.09
Rot. Bonds12

About 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol

1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol (PubChem CID 135005726) has the molecular formula C21H42OSn and a molecular weight of 429.28 g/mol. Its IUPAC name is 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol
PubChem CID135005726
Molecular FormulaC21H42OSn
Molecular Weight429.28 g/mol
Exact Mass430.23
IUPAC Name1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol
SMILESCCCC[Sn](C/C=C/C1(O)CCCCC1)(CCCC)CCCC
InChIInChI=1S/C9H15O.3C4H9.Sn/c1-2-6-9(10)7-4-3-5-8-9;3*1-3-4-2;/h2,6,10H,1,3-5,7-8H2;3*1,3-4H2,2H3;/b6-2+;;;;
InChIKeyJYVYPEXMVCDUHO-GGDCSFEBSA-N
XLogP7.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.28
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-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

(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol
CID 155626
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
CID 12618691
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-
CID 111274
p-Mentha-2,8-dien-1-ol, (Z)-
CID 5319363
1-((1E)-hex-1-en-1-yl)cyclohexan-1-ol
CID 5352482
(1S,2E,4S,7E,11E)-1,7,11-trimethyl-4-prop-1-en-2-ylcyclotetradeca-2,7,11-triene-1,4-diol
CID 155561546
1-Butyl-2-cyclohexen-1-ol
CID 566274
(+)-1-Ethyl-2-cyclohexen-1-ol
CID 13862295
1-Propylcyclohex-2-en-1-ol
CID 13862296
1-[(Z)-1-trimethylsilyloct-1-enyl]cyclohexan-1-ol
CID 11098034
(1S,4R)-4-Isopropenyl-1-methyl-cyclohex-2-en-1-ol
CID 58627000

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol (CID 135005726) is 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol is CCCC[Sn](C/C=C/C1(O)CCCCC1)(CCCC)CCCC.
What is the InChIKey of 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol?
The InChIKey is JYVYPEXMVCDUHO-GGDCSFEBSA-N. The full InChI is InChI=1S/C9H15O.3C4H9.Sn/c1-2-6-9(10)7-4-3-5-8-9;3*1-3-4-2;/h2,6,10H,1,3-5,7-8H2;3*1,3-4H2,2H3;/b6-2+;;;;.
What are the key properties of 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol?
1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol has a molecular weight of 429.28 g/mol, XLogP of 7.09, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-tributylstannylprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 135005726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).