1-(5-chloropentoxy)-2-ethylcyclohexane

C13H25ClO — CID 43348434

IUPAC1-(5-chloropentoxy)-2-ethylcyclohexane
SMILESCCC1CCCCC1OCCCCCCl
InChIInChI=1S/C13H25ClO/c1-2-12-8-4-5-9-13(12)15-11-7-3-6-10-14/h12-13H,2-11H2,1H3
InChIKeyPRUAAVVPRHAIAY-UHFFFAOYSA-N
MW232.79 g/mol
LogP4.38
Rot. Bonds7

About 1-(5-chloropentoxy)-2-ethylcyclohexane

1-(5-chloropentoxy)-2-ethylcyclohexane (PubChem CID 43348434) has the molecular formula C13H25ClO and a molecular weight of 232.79 g/mol. Its IUPAC name is 1-(5-chloropentoxy)-2-ethylcyclohexane.

Molecular Properties

Compound Name1-(5-chloropentoxy)-2-ethylcyclohexane
PubChem CID43348434
Molecular FormulaC13H25ClO
Molecular Weight232.79 g/mol
Exact Mass232.16
IUPAC Name1-(5-chloropentoxy)-2-ethylcyclohexane
SMILESCCC1CCCCC1OCCCCCCl
InChIInChI=1S/C13H25ClO/c1-2-12-8-4-5-9-13(12)15-11-7-3-6-10-14/h12-13H,2-11H2,1H3
InChIKeyPRUAAVVPRHAIAY-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.79
LogP ≤ 54.38
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

1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299
1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 62444924
1-(3-chloropropoxy)-2-methylcyclohexane
CID 24689088
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
2-octoxycyclohexan-1-amine
CID 43127889
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
1-(4-bromobutoxy)-2-propylcyclohexane
CID 139649149
1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene
CID 55192995
3-(2-ethylcyclohexyl)oxypropanimidamide
CID 24694801
2-hexoxycyclododecan-1-amine
CID 43127854
1,2-dibutoxycyclohexane
CID 24962665

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentoxy)-2-ethylcyclohexane?
The IUPAC name of 1-(5-chloropentoxy)-2-ethylcyclohexane (CID 43348434) is 1-(5-chloropentoxy)-2-ethylcyclohexane.
What is the SMILES notation for 1-(5-chloropentoxy)-2-ethylcyclohexane?
The canonical SMILES for 1-(5-chloropentoxy)-2-ethylcyclohexane is CCC1CCCCC1OCCCCCCl.
What is the InChIKey of 1-(5-chloropentoxy)-2-ethylcyclohexane?
The InChIKey is PRUAAVVPRHAIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO/c1-2-12-8-4-5-9-13(12)15-11-7-3-6-10-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-(5-chloropentoxy)-2-ethylcyclohexane?
1-(5-chloropentoxy)-2-ethylcyclohexane has a molecular weight of 232.79 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentoxy)-2-ethylcyclohexane is sourced from PubChem (CID 43348434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).