(1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol

C9H14O — CID 124525372

IUPAC(1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol
SMILESC[C@@]1(O)C=C[C@H]2CC[C@H]1C2
InChIInChI=1S/C9H14O/c1-9(10)5-4-7-2-3-8(9)6-7/h4-5,7-8,10H,2-3,6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyWFIKZJJNEDWFSX-HRDYMLBCSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds

About (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol

(1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 124525372) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name(1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol
PubChem CID124525372
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol
SMILESC[C@@]1(O)C=C[C@H]2CC[C@H]1C2
InChIInChI=1S/C9H14O/c1-9(10)5-4-7-2-3-8(9)6-7/h4-5,7-8,10H,2-3,6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyWFIKZJJNEDWFSX-HRDYMLBCSA-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

(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
(1S,5R)-4,4-dimethyl-3-oxido-3-azoniabicyclo[3.2.1]oct-2-ene
CID 45098365
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol
CID 164833501
5-(2-hydroxypropan-2-yl)-2-methylcyclohex-3-ene-1,2-diol
CID 130152102
2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
CID 18622236
bicyclo[4.2.1]non-4-en-3-ol
CID 130142905
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol (CID 124525372) is (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol is C[C@@]1(O)C=C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is WFIKZJJNEDWFSX-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H14O/c1-9(10)5-4-7-2-3-8(9)6-7/h4-5,7-8,10H,2-3,6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol?
(1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-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 (1S,2S,5S)-2-methylbicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 124525372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).