carbonyl dichloride;pentylcyclohexane

C12H22Cl2O — CID 19977556

IUPACcarbonyl dichloride;pentylcyclohexane
SMILESCCCCCC1CCCCC1.O=C(Cl)Cl
InChIInChI=1S/C11H22.CCl2O/c1-2-3-5-8-11-9-6-4-7-10-11;2-1(3)4/h11H,2-10H2,1H3;
InChIKeyAQNMPFWKAZYDAB-UHFFFAOYSA-N
MW253.21 g/mol
LogP5.73
Rot. Bonds4

About carbonyl dichloride;pentylcyclohexane

carbonyl dichloride;pentylcyclohexane (PubChem CID 19977556) has the molecular formula C12H22Cl2O and a molecular weight of 253.21 g/mol. Its IUPAC name is carbonyl dichloride;pentylcyclohexane.

Molecular Properties

Compound Namecarbonyl dichloride;pentylcyclohexane
PubChem CID19977556
Molecular FormulaC12H22Cl2O
Molecular Weight253.21 g/mol
Exact Mass252.10
IUPAC Namecarbonyl dichloride;pentylcyclohexane
SMILESCCCCCC1CCCCC1.O=C(Cl)Cl
InChIInChI=1S/C11H22.CCl2O/c1-2-3-5-8-11-9-6-4-7-10-11;2-1(3)4/h11H,2-10H2,1H3;
InChIKeyAQNMPFWKAZYDAB-UHFFFAOYSA-N
XLogP5.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.21
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptylcyclohexane;propan-2-one
CID 143570854
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
ethene;pentylcyclopentane
CID 145442606
ethyl acetate;hexylcyclohexane
CID 23285784
1-chloro-3-octylcycloheptane
CID 64508409
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746
1-cyclopentylhenicosan-4-one
CID 521722
8-cyclohexyloctan-4-one
CID 143863986

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;pentylcyclohexane?
The IUPAC name of carbonyl dichloride;pentylcyclohexane (CID 19977556) is carbonyl dichloride;pentylcyclohexane.
What is the SMILES notation for carbonyl dichloride;pentylcyclohexane?
The canonical SMILES for carbonyl dichloride;pentylcyclohexane is CCCCCC1CCCCC1.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;pentylcyclohexane?
The InChIKey is AQNMPFWKAZYDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.CCl2O/c1-2-3-5-8-11-9-6-4-7-10-11;2-1(3)4/h11H,2-10H2,1H3;.
What are the key properties of carbonyl dichloride;pentylcyclohexane?
carbonyl dichloride;pentylcyclohexane has a molecular weight of 253.21 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;pentylcyclohexane is sourced from PubChem (CID 19977556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).