1-methylcyclohex-2-en-1-ol;methylsulfanylmethane

C9H18OS — CID 159864702

IUPAC1-methylcyclohex-2-en-1-ol;methylsulfanylmethane
SMILESCC1(O)C=CCCC1.CSC
InChIInChI=1S/C7H12O.C2H6S/c1-7(8)5-3-2-4-6-7;1-3-2/h3,5,8H,2,4,6H2,1H3;1-2H3
InChIKeyNROWXCMEONQLHF-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.46
Rot. Bonds

About 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane

1-methylcyclohex-2-en-1-ol;methylsulfanylmethane (PubChem CID 159864702) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane.

Molecular Properties

Compound Name1-methylcyclohex-2-en-1-ol;methylsulfanylmethane
PubChem CID159864702
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name1-methylcyclohex-2-en-1-ol;methylsulfanylmethane
SMILESCC1(O)C=CCCC1.CSC
InChIInChI=1S/C7H12O.C2H6S/c1-7(8)5-3-2-4-6-7;1-3-2/h3,5,8H,2,4,6H2,1H3;1-2H3
InChIKeyNROWXCMEONQLHF-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane?
The IUPAC name of 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane (CID 159864702) is 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane.
What is the SMILES notation for 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane?
The canonical SMILES for 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane is CC1(O)C=CCCC1.CSC.
What is the InChIKey of 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane?
The InChIKey is NROWXCMEONQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6S/c1-7(8)5-3-2-4-6-7;1-3-2/h3,5,8H,2,4,6H2,1H3;1-2H3.
What are the key properties of 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane?
1-methylcyclohex-2-en-1-ol;methylsulfanylmethane has a molecular weight of 174.31 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohex-2-en-1-ol;methylsulfanylmethane is sourced from PubChem (CID 159864702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).