(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol

C10H16O — CID 124556662

IUPAC(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
SMILESCC1=C[C@@H]2[C@@H](C[C@@H]1O)C2(C)C
InChIInChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyXCIZLAMMPDJKRZ-HLTSFMKQSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds

About (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol

(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol (PubChem CID 124556662) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol.

Molecular Properties

Compound Name(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
PubChem CID124556662
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
SMILESCC1=C[C@@H]2[C@@H](C[C@@H]1O)C2(C)C
InChIInChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyXCIZLAMMPDJKRZ-HLTSFMKQSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol?
The IUPAC name of (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol (CID 124556662) is (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol.
What is the SMILES notation for (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol?
The canonical SMILES for (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol is CC1=C[C@@H]2[C@@H](C[C@@H]1O)C2(C)C.
What is the InChIKey of (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol?
The InChIKey is XCIZLAMMPDJKRZ-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol?
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol is sourced from PubChem (CID 124556662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).