3-methylidene-2-propan-2-ylcyclohexan-1-ol

C10H18O — CID 130149091

IUPAC3-methylidene-2-propan-2-ylcyclohexan-1-ol
SMILESC=C1CCCC(O)C1C(C)C
InChIInChI=1S/C10H18O/c1-7(2)10-8(3)5-4-6-9(10)11/h7,9-11H,3-6H2,1-2H3
InChIKeyGKJOISDJSXXEFB-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About 3-methylidene-2-propan-2-ylcyclohexan-1-ol

3-methylidene-2-propan-2-ylcyclohexan-1-ol (PubChem CID 130149091) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methylidene-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-methylidene-2-propan-2-ylcyclohexan-1-ol
PubChem CID130149091
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methylidene-2-propan-2-ylcyclohexan-1-ol
SMILESC=C1CCCC(O)C1C(C)C
InChIInChI=1S/C10H18O/c1-7(2)10-8(3)5-4-6-9(10)11/h7,9-11H,3-6H2,1-2H3
InChIKeyGKJOISDJSXXEFB-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-methylidene-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-methylidene-2-propan-2-ylcyclohexan-1-ol (CID 130149091) is 3-methylidene-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-methylidene-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-methylidene-2-propan-2-ylcyclohexan-1-ol is C=C1CCCC(O)C1C(C)C.
What is the InChIKey of 3-methylidene-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is GKJOISDJSXXEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)10-8(3)5-4-6-9(10)11/h7,9-11H,3-6H2,1-2H3.
What are the key properties of 3-methylidene-2-propan-2-ylcyclohexan-1-ol?
3-methylidene-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 130149091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).