1-methyl-5-methylidenecyclohexane-1,3-diol

C8H14O2 — CID 91024356

IUPAC1-methyl-5-methylidenecyclohexane-1,3-diol
SMILESC=C1CC(O)CC(C)(O)C1
InChIInChI=1S/C8H14O2/c1-6-3-7(9)5-8(2,10)4-6/h7,9-10H,1,3-5H2,2H3
InChIKeyAYPPLJQCCJJUFS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.84
Rot. Bonds

About 1-methyl-5-methylidenecyclohexane-1,3-diol

1-methyl-5-methylidenecyclohexane-1,3-diol (PubChem CID 91024356) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methyl-5-methylidenecyclohexane-1,3-diol.

Molecular Properties

Compound Name1-methyl-5-methylidenecyclohexane-1,3-diol
PubChem CID91024356
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-methyl-5-methylidenecyclohexane-1,3-diol
SMILESC=C1CC(O)CC(C)(O)C1
InChIInChI=1S/C8H14O2/c1-6-3-7(9)5-8(2,10)4-6/h7,9-10H,1,3-5H2,2H3
InChIKeyAYPPLJQCCJJUFS-UHFFFAOYSA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-methyl-5-methylidenecyclohexane-1,3-diol?
The IUPAC name of 1-methyl-5-methylidenecyclohexane-1,3-diol (CID 91024356) is 1-methyl-5-methylidenecyclohexane-1,3-diol.
What is the SMILES notation for 1-methyl-5-methylidenecyclohexane-1,3-diol?
The canonical SMILES for 1-methyl-5-methylidenecyclohexane-1,3-diol is C=C1CC(O)CC(C)(O)C1.
What is the InChIKey of 1-methyl-5-methylidenecyclohexane-1,3-diol?
The InChIKey is AYPPLJQCCJJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-3-7(9)5-8(2,10)4-6/h7,9-10H,1,3-5H2,2H3.
What are the key properties of 1-methyl-5-methylidenecyclohexane-1,3-diol?
1-methyl-5-methylidenecyclohexane-1,3-diol has a molecular weight of 142.20 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidenecyclohexane-1,3-diol is sourced from PubChem (CID 91024356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).