(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

C10H16O — CID 5459764

IUPAC(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESC=C1[C@H](O)C[C@]2(C(C)C)C[C@@H]12
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeyMDFQXBNVOAKNAY-AEJSXWLSSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (PubChem CID 5459764) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
PubChem CID5459764
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESC=C1[C@H](O)C[C@]2(C(C)C)C[C@@H]12
InChIInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeyMDFQXBNVOAKNAY-AEJSXWLSSA-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 (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (CID 5459764) is (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is C=C1[C@H](O)C[C@]2(C(C)C)C[C@@H]12.
What is the InChIKey of (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The InChIKey is MDFQXBNVOAKNAY-AEJSXWLSSA-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/t8-,9+,10-/m0/s1.
What are the key properties of (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
(1S,3R,5R)-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 (1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 5459764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).