4-propoxycyclohexane-1-carbonyl chloride

C10H17ClO2 — CID 13343846

IUPAC4-propoxycyclohexane-1-carbonyl chloride
SMILESCCCOC1CCC(C(=O)Cl)CC1
InChIInChI=1S/C10H17ClO2/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h8-9H,2-7H2,1H3
InChIKeyLLQRFAWQAFMJGC-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.74
Rot. Bonds4

About 4-propoxycyclohexane-1-carbonyl chloride

4-propoxycyclohexane-1-carbonyl chloride (PubChem CID 13343846) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 4-propoxycyclohexane-1-carbonyl chloride.

Molecular Properties

Compound Name4-propoxycyclohexane-1-carbonyl chloride
PubChem CID13343846
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name4-propoxycyclohexane-1-carbonyl chloride
SMILESCCCOC1CCC(C(=O)Cl)CC1
InChIInChI=1S/C10H17ClO2/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h8-9H,2-7H2,1H3
InChIKeyLLQRFAWQAFMJGC-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxycyclohexane-1-carboxamide
CID 89399815
1-chloro-3-propoxycyclobutane
CID 66344084
propoxycyclooctane
CID 54078990
4-propoxypiperidine-1-carbothioic S-acid
CID 169214588
3-propoxycyclobutan-1-ol
CID 66343734
1-cyclohexyl-1-(4-propoxycyclohexyl)urea
CID 141312120
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
methyl 4-(2-propylsulfonylethoxy)cyclohexane-1-carboxylate
CID 106721827
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346
(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate
CID 145123697

Frequently Asked Questions

What is the IUPAC name of 4-propoxycyclohexane-1-carbonyl chloride?
The IUPAC name of 4-propoxycyclohexane-1-carbonyl chloride (CID 13343846) is 4-propoxycyclohexane-1-carbonyl chloride.
What is the SMILES notation for 4-propoxycyclohexane-1-carbonyl chloride?
The canonical SMILES for 4-propoxycyclohexane-1-carbonyl chloride is CCCOC1CCC(C(=O)Cl)CC1.
What is the InChIKey of 4-propoxycyclohexane-1-carbonyl chloride?
The InChIKey is LLQRFAWQAFMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h8-9H,2-7H2,1H3.
What are the key properties of 4-propoxycyclohexane-1-carbonyl chloride?
4-propoxycyclohexane-1-carbonyl chloride has a molecular weight of 204.70 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxycyclohexane-1-carbonyl chloride is sourced from PubChem (CID 13343846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).