4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

C10H16O — CID 564260

IUPAC4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESC=C1C(O)CC2(C(C)C)CC12
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3
InChIKeyMDFQXBNVOAKNAY-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (PubChem CID 564260) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
PubChem CID564260
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESC=C1C(O)CC2(C(C)C)CC12
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3
InChIKeyMDFQXBNVOAKNAY-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The IUPAC name of 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (CID 564260) is 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is C=C1C(O)CC2(C(C)C)CC12.
What is the InChIKey of 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The InChIKey is MDFQXBNVOAKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3.
What are the key properties of 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 564260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).