1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol

C9H16O — CID 12622752

IUPAC1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
SMILES[2H]C(C)(O)CC1=CCCCC1
InChIInChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h5,8,10H,2-4,6-7H2,1H3/i8D
InChIKeyJHHIYIYYILGEQA-BNEYPBHNSA-N
MW141.23 g/mol
LogP2.26
Rot. Bonds2

About 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol

1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol (PubChem CID 12622752) has the molecular formula C9H16O and a molecular weight of 141.23 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
PubChem CID12622752
Molecular FormulaC9H16O
Molecular Weight141.23 g/mol
Exact Mass141.13
IUPAC Name1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
SMILES[2H]C(C)(O)CC1=CCCCC1
InChIInChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h5,8,10H,2-4,6-7H2,1H3/i8D
InChIKeyJHHIYIYYILGEQA-BNEYPBHNSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.23
LogP ≤ 52.26
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

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CID 12869932
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CID 107893039
1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660093
(2R)-1,1,1-trichloro-3-(cyclohexen-1-yl)propan-2-ol
CID 13238455
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
ethane;1-(2-methylpentyl)cyclohexene
CID 144539810
1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol
CID 116660193
1-(cyclohexen-1-yl)hex-5-yn-2-ol
CID 116660119
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
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1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol (CID 12622752) is 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol is [2H]C(C)(O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol?
The InChIKey is JHHIYIYYILGEQA-BNEYPBHNSA-N. The full InChI is InChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h5,8,10H,2-4,6-7H2,1H3/i8D.
What are the key properties of 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol?
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol has a molecular weight of 141.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol is sourced from PubChem (CID 12622752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).