1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane

C14H27ClO — CID 106456044

IUPAC1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane
SMILESCCCOCCC1CC(C(C)C)CCC1Cl
InChIInChI=1S/C14H27ClO/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-14H,4-10H2,1-3H3
InChIKeyRQRRZBYKEXUJMJ-UHFFFAOYSA-N
MW246.82 g/mol
LogP4.48
Rot. Bonds6

About 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane

1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane (PubChem CID 106456044) has the molecular formula C14H27ClO and a molecular weight of 246.82 g/mol. Its IUPAC name is 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane
PubChem CID106456044
Molecular FormulaC14H27ClO
Molecular Weight246.82 g/mol
Exact Mass246.18
IUPAC Name1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane
SMILESCCCOCCC1CC(C(C)C)CCC1Cl
InChIInChI=1S/C14H27ClO/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-14H,4-10H2,1-3H3
InChIKeyRQRRZBYKEXUJMJ-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.82
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
CID 106455962
1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane
CID 106456004
[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine
CID 81012041
1-bromo-4-[2-(2-chloro-5-propan-2-ylcyclohexyl)ethoxy]benzene
CID 63472442
3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106454513
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]bicyclo[2.2.1]heptane
CID 79561514
1-chloro-2-(3-ethoxypropyl)-4-methylcyclohexane
CID 65180902
3-(2-butoxyethyl)-4-chlorooxane
CID 106471474

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane?
The IUPAC name of 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane (CID 106456044) is 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane.
What is the SMILES notation for 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane?
The canonical SMILES for 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane is CCCOCCC1CC(C(C)C)CCC1Cl.
What is the InChIKey of 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane?
The InChIKey is RQRRZBYKEXUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane?
1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane has a molecular weight of 246.82 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane is sourced from PubChem (CID 106456044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).