3-methyl-2-prop-2-enylcyclohexan-1-ol

C10H18O — CID 71440529

IUPAC3-methyl-2-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1C(C)CCCC1O
InChIInChI=1S/C10H18O/c1-3-5-9-8(2)6-4-7-10(9)11/h3,8-11H,1,4-7H2,2H3
InChIKeyMXNNWRDKFQPYSS-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds2

About 3-methyl-2-prop-2-enylcyclohexan-1-ol

3-methyl-2-prop-2-enylcyclohexan-1-ol (PubChem CID 71440529) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-2-prop-2-enylcyclohexan-1-ol
PubChem CID71440529
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methyl-2-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1C(C)CCCC1O
InChIInChI=1S/C10H18O/c1-3-5-9-8(2)6-4-7-10(9)11/h3,8-11H,1,4-7H2,2H3
InChIKeyMXNNWRDKFQPYSS-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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-methyl-2-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 3-methyl-2-prop-2-enylcyclohexan-1-ol (CID 71440529) is 3-methyl-2-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 3-methyl-2-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 3-methyl-2-prop-2-enylcyclohexan-1-ol is C=CCC1C(C)CCCC1O.
What is the InChIKey of 3-methyl-2-prop-2-enylcyclohexan-1-ol?
The InChIKey is MXNNWRDKFQPYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-9-8(2)6-4-7-10(9)11/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 3-methyl-2-prop-2-enylcyclohexan-1-ol?
3-methyl-2-prop-2-enylcyclohexan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 71440529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).