4-propan-2-ylcyclohexane-1-carbonyl chloride

C10H17ClO — CID 10176455

IUPAC4-propan-2-ylcyclohexane-1-carbonyl chloride
SMILESCC(C)C1CCC(C(=O)Cl)CC1
InChIInChI=1S/C10H17ClO/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3
InChIKeyYXGDSBSUTMGHOL-UHFFFAOYSA-N
MW188.70 g/mol
LogP3.21
Rot. Bonds2

About 4-propan-2-ylcyclohexane-1-carbonyl chloride

4-propan-2-ylcyclohexane-1-carbonyl chloride (PubChem CID 10176455) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexane-1-carbonyl chloride.

Molecular Properties

Compound Name4-propan-2-ylcyclohexane-1-carbonyl chloride
PubChem CID10176455
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name4-propan-2-ylcyclohexane-1-carbonyl chloride
SMILESCC(C)C1CCC(C(=O)Cl)CC1
InChIInChI=1S/C10H17ClO/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3
InChIKeyYXGDSBSUTMGHOL-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

Cyclohexylacetyl chloride
CID 2757989
Isononanoyl chloride
CID 92654
Cyclohexylpropionyl chloride
CID 2734098
1-(2-Ethylbutyl)cyclohexanecarbonyl chloride
CID 10657125
4-Methylcyclohexane-1-carbonyl chloride
CID 12986357
Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-
CID 13734319
2-hexyldecanoyl Chloride
CID 11437295
Decahydronaphthalene-2-carbonyl chloride
CID 81877610
(1R,2S,5R)-2-isopropyl-5-methylcyclohexanecarbonyl chloride
CID 3084750
2-Butylhexanoyl chloride
CID 20429218
Monoethyl suberyl chloride
CID 21118475
4-Tert-butylcyclohexanecarbonyl chloride
CID 2757269

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexane-1-carbonyl chloride?
The IUPAC name of 4-propan-2-ylcyclohexane-1-carbonyl chloride (CID 10176455) is 4-propan-2-ylcyclohexane-1-carbonyl chloride.
What is the SMILES notation for 4-propan-2-ylcyclohexane-1-carbonyl chloride?
The canonical SMILES for 4-propan-2-ylcyclohexane-1-carbonyl chloride is CC(C)C1CCC(C(=O)Cl)CC1.
What is the InChIKey of 4-propan-2-ylcyclohexane-1-carbonyl chloride?
The InChIKey is YXGDSBSUTMGHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexane-1-carbonyl chloride?
4-propan-2-ylcyclohexane-1-carbonyl chloride has a molecular weight of 188.70 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexane-1-carbonyl chloride is sourced from PubChem (CID 10176455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).