(1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol

C7H12O — CID 10772955

IUPAC(1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol
SMILES[2H]C1=C[C@@H](O)C[C@H](C)C1
InChIInChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h2,4,6-8H,3,5H2,1H3/t6-,7-/m1/s1/i2D
InChIKeyRABYZONTKHYCAK-JCAYRDFLSA-N
MW113.18 g/mol
LogP1.33
Rot. Bonds

About (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol

(1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol (PubChem CID 10772955) has the molecular formula C7H12O and a molecular weight of 113.18 g/mol. Its IUPAC name is (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol
PubChem CID10772955
Molecular FormulaC7H12O
Molecular Weight113.18 g/mol
Exact Mass113.10
IUPAC Name(1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol
SMILES[2H]C1=C[C@@H](O)C[C@H](C)C1
InChIInChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h2,4,6-8H,3,5H2,1H3/t6-,7-/m1/s1/i2D
InChIKeyRABYZONTKHYCAK-JCAYRDFLSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.33
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

actinium;4-methylcyclopent-2-en-1-ol
CID 20708728
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
CID 71400880
(5R)-3,5-dimethylcyclohexene
CID 142981274
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 130125975
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
(5R)-5-methylcyclohex-2-ene-1,2-diol
CID 89247529
6-methylcyclohept-2-en-4-yn-1-ol
CID 129019481
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
5-iodocyclohex-2-en-1-ol
CID 146915953
(3R,5R)-3-bromo-5-methylcyclohexene
CID 5325852

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol (CID 10772955) is (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol is [2H]C1=C[C@@H](O)C[C@H](C)C1.
What is the InChIKey of (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol?
The InChIKey is RABYZONTKHYCAK-JCAYRDFLSA-N. The full InChI is InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h2,4,6-8H,3,5H2,1H3/t6-,7-/m1/s1/i2D.
What are the key properties of (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol?
(1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol has a molecular weight of 113.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-deuterio-5-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 10772955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).