5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol

C10H18O2 — CID 21492161

IUPAC5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol
SMILESC=C(C)C1CCC(C)CC1(O)O
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(9,11)12/h8-9,11-12H,1,4-6H2,2-3H3
InChIKeyFQXMZOGNKHPYCD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.68
Rot. Bonds1

About 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol

5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol (PubChem CID 21492161) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol.

Molecular Properties

Compound Name5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol
PubChem CID21492161
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol
SMILESC=C(C)C1CCC(C)CC1(O)O
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(9,11)12/h8-9,11-12H,1,4-6H2,2-3H3
InChIKeyFQXMZOGNKHPYCD-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol?
The IUPAC name of 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol (CID 21492161) is 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol.
What is the SMILES notation for 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol?
The canonical SMILES for 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol is C=C(C)C1CCC(C)CC1(O)O.
What is the InChIKey of 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol?
The InChIKey is FQXMZOGNKHPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(9,11)12/h8-9,11-12H,1,4-6H2,2-3H3.
What are the key properties of 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol?
5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol has a molecular weight of 170.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol is sourced from PubChem (CID 21492161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).