(1-chloro-2-ethylhexyl)cyclohexane

C14H27Cl — CID 57175974

IUPAC(1-chloro-2-ethylhexyl)cyclohexane
SMILESCCCCC(CC)C(Cl)C1CCCCC1
InChIInChI=1S/C14H27Cl/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h12-14H,3-11H2,1-2H3
InChIKeyHOWPZFFWXLCSPA-UHFFFAOYSA-N
MW230.82 g/mol
LogP5.39
Rot. Bonds6

About (1-chloro-2-ethylhexyl)cyclohexane

(1-chloro-2-ethylhexyl)cyclohexane (PubChem CID 57175974) has the molecular formula C14H27Cl and a molecular weight of 230.82 g/mol. Its IUPAC name is (1-chloro-2-ethylhexyl)cyclohexane.

Molecular Properties

Compound Name(1-chloro-2-ethylhexyl)cyclohexane
PubChem CID57175974
Molecular FormulaC14H27Cl
Molecular Weight230.82 g/mol
Exact Mass230.18
IUPAC Name(1-chloro-2-ethylhexyl)cyclohexane
SMILESCCCCC(CC)C(Cl)C1CCCCC1
InChIInChI=1S/C14H27Cl/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h12-14H,3-11H2,1-2H3
InChIKeyHOWPZFFWXLCSPA-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.82
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-2-methylbutyl)cycloheptane
CID 130480756
1-cyclopropylpentylcycloheptane
CID 91177068
undecan-5-ylcyclohexane
CID 524419
1-chlorohexan-2-ylcyclopentane
CID 112570473
2,6,10,16,20-pentakis(1-chloropentyl)-oxacycloicosane
CID 175157893
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
N-[(1S)-1-cyclohexylethyl]heptan-3-amine
CID 81387279
butan-2-ylcyclohexane;heptane
CID 143477095
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
1-cyclopropyl-3-ethylheptan-2-ol
CID 115804014

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-ethylhexyl)cyclohexane?
The IUPAC name of (1-chloro-2-ethylhexyl)cyclohexane (CID 57175974) is (1-chloro-2-ethylhexyl)cyclohexane.
What is the SMILES notation for (1-chloro-2-ethylhexyl)cyclohexane?
The canonical SMILES for (1-chloro-2-ethylhexyl)cyclohexane is CCCCC(CC)C(Cl)C1CCCCC1.
What is the InChIKey of (1-chloro-2-ethylhexyl)cyclohexane?
The InChIKey is HOWPZFFWXLCSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of (1-chloro-2-ethylhexyl)cyclohexane?
(1-chloro-2-ethylhexyl)cyclohexane has a molecular weight of 230.82 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-ethylhexyl)cyclohexane is sourced from PubChem (CID 57175974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).