2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol

C13H18OS — CID 150205104

IUPAC2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol
SMILESC=S1C=CC=C1CC1CC=C(C)C(O)C1
InChIInChI=1S/C13H18OS/c1-10-5-6-11(9-13(10)14)8-12-4-3-7-15(12)2/h3-5,7,11,13-14H,2,6,8-9H2,1H3
InChIKeyFQHWVIQWDJPWNI-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.21
Rot. Bonds2

About 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol

2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol (PubChem CID 150205104) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol
PubChem CID150205104
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol
SMILESC=S1C=CC=C1CC1CC=C(C)C(O)C1
InChIInChI=1S/C13H18OS/c1-10-5-6-11(9-13(10)14)8-12-4-3-7-15(12)2/h3-5,7,11,13-14H,2,6,8-9H2,1H3
InChIKeyFQHWVIQWDJPWNI-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;4-methyl-2-[(3S,5E)-7,7,7-trifluoro-6-methylhepta-1,5-dien-3-yl]-2,3-dihydrothiophen-3-ol
CID 143813996
4-methyl-2-[(3S,5E)-7,7,7-trifluoro-6-methylhepta-1,5-dien-3-yl]-2,3-dihydrothiophen-3-ol
CID 143813997
(3-Hydroxy-5,5-dimethylcyclohexen-1-yl)methyl-dimethylsulfanium
CID 58718098
(2S)-1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol
CID 71163590
1-(5,6-Dihydro-1-benzothiophen-5-yl)pentan-2-ol
CID 71163659
1-(3-Methylcyclohex-3-en-1-yl)-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 91464734
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
3-Ethenyl-5,6-dimethyl-4-sulfanylcyclohex-2-en-1-ol
CID 132024710
3-Methyl-5-[(2-methyl-5-propan-2-ylcyclopent-3-en-1-yl)methylsulfanyl]cyclohexa-2,4-dien-1-ol
CID 139472256
(2E,4Z)-1-cyclopentyl-5-methylsulfanylpenta-2,4-dien-1-ol
CID 141795996
4-(4-Methylcyclohex-2-en-1-yl)sulfanylcyclohex-2-en-1-ol
CID 144225126
3-Methyl-6-[(1-methylidenethiophen-2-yl)methyl]cyclohex-3-ene-1,2-diol
CID 151540148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol (CID 150205104) is 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol is C=S1C=CC=C1CC1CC=C(C)C(O)C1.
What is the InChIKey of 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol?
The InChIKey is FQHWVIQWDJPWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-10-5-6-11(9-13(10)14)8-12-4-3-7-15(12)2/h3-5,7,11,13-14H,2,6,8-9H2,1H3.
What are the key properties of 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol?
2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol has a molecular weight of 222.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylidenethiophen-2-yl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 150205104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).