(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol

C9H14O — CID 134875141

IUPAC(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol
SMILESC[C@@H]1[C@H]2C=C[C@H](C2)[C@]1(C)O
InChIInChI=1S/C9H14O/c1-6-7-3-4-8(5-7)9(6,2)10/h3-4,6-8,10H,5H2,1-2H3/t6-,7+,8-,9-/m1/s1
InChIKeyTXUGGZJFTAKYJH-BZNPZCIMSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds

About (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol

(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 134875141) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol
PubChem CID134875141
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol
SMILESC[C@@H]1[C@H]2C=C[C@H](C2)[C@]1(C)O
InChIInChI=1S/C9H14O/c1-6-7-3-4-8(5-7)9(6,2)10/h3-4,6-8,10H,5H2,1-2H3/t6-,7+,8-,9-/m1/s1
InChIKeyTXUGGZJFTAKYJH-BZNPZCIMSA-N
XLogP1.58
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 ≤ 51.58
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,2R,3S,4S)-2,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 97303149
(1S,2S,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 134923149
2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
CID 18622236
2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
CID 12616171
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
CID 19102317
(1R,2S,3S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 98532182
(2S,3R)-3-(hydroxymethyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130884529
2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol
CID 91328943
dimethyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 13003697
5,5-dichloro-6-ethylbicyclo[2.2.1]hept-2-ene
CID 21396922

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol (CID 134875141) is (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol is C[C@@H]1[C@H]2C=C[C@H](C2)[C@]1(C)O.
What is the InChIKey of (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is TXUGGZJFTAKYJH-BZNPZCIMSA-N. The full InChI is InChI=1S/C9H14O/c1-6-7-3-4-8(5-7)9(6,2)10/h3-4,6-8,10H,5H2,1-2H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol?
(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 134875141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).