1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol

C11H20O2 — CID 69422338

IUPAC1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol
SMILESC=C(CO)C(O)C1CCCCC1C
InChIInChI=1S/C11H20O2/c1-8-5-3-4-6-10(8)11(13)9(2)7-12/h8,10-13H,2-7H2,1H3
InChIKeyRFQPOCSEHABLQG-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.72
Rot. Bonds3

About 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol

1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol (PubChem CID 69422338) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol
PubChem CID69422338
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol
SMILESC=C(CO)C(O)C1CCCCC1C
InChIInChI=1S/C11H20O2/c1-8-5-3-4-6-10(8)11(13)9(2)7-12/h8,10-13H,2-7H2,1H3
InChIKeyRFQPOCSEHABLQG-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.72
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-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol?
The IUPAC name of 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol (CID 69422338) is 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol.
What is the SMILES notation for 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol?
The canonical SMILES for 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol is C=C(CO)C(O)C1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol?
The InChIKey is RFQPOCSEHABLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-5-3-4-6-10(8)11(13)9(2)7-12/h8,10-13H,2-7H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol?
1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol has a molecular weight of 184.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol is sourced from PubChem (CID 69422338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).