3-methylcyclohex-2-en-1-ol;propane

C10H20O — CID 142858327

IUPAC3-methylcyclohex-2-en-1-ol;propane
SMILESCC1=CC(O)CCC1.CCC
InChIInChI=1S/C7H12O.C3H8/c1-6-3-2-4-7(8)5-6;1-3-2/h5,7-8H,2-4H2,1H3;3H2,1-2H3
InChIKeyGGWLRXRBBYXOEP-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.89
Rot. Bonds

About 3-methylcyclohex-2-en-1-ol;propane

3-methylcyclohex-2-en-1-ol;propane (PubChem CID 142858327) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-methylcyclohex-2-en-1-ol;propane.

Molecular Properties

Compound Name3-methylcyclohex-2-en-1-ol;propane
PubChem CID142858327
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-methylcyclohex-2-en-1-ol;propane
SMILESCC1=CC(O)CCC1.CCC
InChIInChI=1S/C7H12O.C3H8/c1-6-3-2-4-7(8)5-6;1-3-2/h5,7-8H,2-4H2,1H3;3H2,1-2H3
InChIKeyGGWLRXRBBYXOEP-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methylcyclohex-2-en-1-ol;propane?
The IUPAC name of 3-methylcyclohex-2-en-1-ol;propane (CID 142858327) is 3-methylcyclohex-2-en-1-ol;propane.
What is the SMILES notation for 3-methylcyclohex-2-en-1-ol;propane?
The canonical SMILES for 3-methylcyclohex-2-en-1-ol;propane is CC1=CC(O)CCC1.CCC.
What is the InChIKey of 3-methylcyclohex-2-en-1-ol;propane?
The InChIKey is GGWLRXRBBYXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C3H8/c1-6-3-2-4-7(8)5-6;1-3-2/h5,7-8H,2-4H2,1H3;3H2,1-2H3.
What are the key properties of 3-methylcyclohex-2-en-1-ol;propane?
3-methylcyclohex-2-en-1-ol;propane has a molecular weight of 156.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohex-2-en-1-ol;propane is sourced from PubChem (CID 142858327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).