(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol

C9H14O — CID 10953589

IUPAC(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
SMILESCC1=CC[C@]2(C)C[C@H](O)[C@H]12
InChIInChI=1S/C9H14O/c1-6-3-4-9(2)5-7(10)8(6)9/h3,7-8,10H,4-5H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyYUXMNAGSRCLCDI-XHNCKOQMSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds

About (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol

(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol (PubChem CID 10953589) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol.

Molecular Properties

Compound Name(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
PubChem CID10953589
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
SMILESCC1=CC[C@]2(C)C[C@H](O)[C@H]12
InChIInChI=1S/C9H14O/c1-6-3-4-9(2)5-7(10)8(6)9/h3,7-8,10H,4-5H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyYUXMNAGSRCLCDI-XHNCKOQMSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
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

(1R,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 130891185
3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol
CID 14830960
(3aS,7S,7aR)-3a,6,7-trimethyl-3,4,7,7a-tetrahydro-2H-inden-1-one
CID 134992312
(1S,3S,4S,5S)-4-bromo-3-hydroxy-1-methylbicyclo[3.2.0]heptan-6-one
CID 11820702
(1R,5R)-1,4-dimethylbicyclo[3.2.1]oct-3-en-6-one
CID 130942088
(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol
CID 5315464
1-[(1S,3aS,8aR)-3a,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-azulen-1-yl]ethanone
CID 11805884
(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 162889144
(1R,2R,6S)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 6427471
1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 524193
(1S,2R,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol
CID 101006297
2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol
CID 130146228

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol?
The IUPAC name of (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol (CID 10953589) is (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol.
What is the SMILES notation for (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol?
The canonical SMILES for (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol is CC1=CC[C@]2(C)C[C@H](O)[C@H]12.
What is the InChIKey of (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol?
The InChIKey is YUXMNAGSRCLCDI-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H14O/c1-6-3-4-9(2)5-7(10)8(6)9/h3,7-8,10H,4-5H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol?
(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol has a molecular weight of 138.21 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol is sourced from PubChem (CID 10953589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).