(1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol

C10H16O — CID 134980382

IUPAC(1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
SMILESCC1(C)C=C[C@@]2(C)[C@@H]1C[C@@H]2O
InChIInChI=1S/C10H16O/c1-9(2)4-5-10(3)7(9)6-8(10)11/h4-5,7-8,11H,6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKeyMSSBLPKWJJOUMD-WEDXCCLWSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds

About (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol

(1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol (PubChem CID 134980382) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol.

Molecular Properties

Compound Name(1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
PubChem CID134980382
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
SMILESCC1(C)C=C[C@@]2(C)[C@@H]1C[C@@H]2O
InChIInChI=1S/C10H16O/c1-9(2)4-5-10(3)7(9)6-8(10)11/h4-5,7-8,11H,6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKeyMSSBLPKWJJOUMD-WEDXCCLWSA-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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Related Compounds

Chrysanthenol
CID 527032
(1S,5R,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 71361104
Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, (1S,5R,6R)-
CID 10888100
(-)-trans-Isomenth-5-en-2-ol
CID 157010029
(Z)-Chrysanthenole
CID 14060721
(1S,2S)-2-ethylcyclohept-3-en-1-ol
CID 12162809
(3S)-3-[(1S,4S)-4-fluoro-1,4-dimethylcyclobut-2-en-1-yl]butan-2-ol
CID 173806028
4-Ethenyl-2,4,8-trimethylnon-7-en-3-ol
CID 88757080
(4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol
CID 11117370
(1R,2R)-2-ethylcyclohept-3-en-1-ol
CID 12141542
(1R,5S,6R)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 15143873
2,6,6-Trimethylcyclohept-3-enol
CID 85790618

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol?
The IUPAC name of (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol (CID 134980382) is (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol.
What is the SMILES notation for (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol?
The canonical SMILES for (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol is CC1(C)C=C[C@@]2(C)[C@@H]1C[C@@H]2O.
What is the InChIKey of (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol?
The InChIKey is MSSBLPKWJJOUMD-WEDXCCLWSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)4-5-10(3)7(9)6-8(10)11/h4-5,7-8,11H,6H2,1-3H3/t7-,8+,10+/m1/s1.
What are the key properties of (1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol?
(1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-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,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol is sourced from PubChem (CID 134980382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).