1-(6-chlorohexoxy)-2-ethylcyclohexane

C14H27ClO — CID 63499299

IUPAC1-(6-chlorohexoxy)-2-ethylcyclohexane
SMILESCCC1CCCCC1OCCCCCCCl
InChIInChI=1S/C14H27ClO/c1-2-13-9-5-6-10-14(13)16-12-8-4-3-7-11-15/h13-14H,2-12H2,1H3
InChIKeyDFTNUKRVPISAKT-UHFFFAOYSA-N
MW246.82 g/mol
LogP4.77
Rot. Bonds8

About 1-(6-chlorohexoxy)-2-ethylcyclohexane

1-(6-chlorohexoxy)-2-ethylcyclohexane (PubChem CID 63499299) has the molecular formula C14H27ClO and a molecular weight of 246.82 g/mol. Its IUPAC name is 1-(6-chlorohexoxy)-2-ethylcyclohexane.

Molecular Properties

Compound Name1-(6-chlorohexoxy)-2-ethylcyclohexane
PubChem CID63499299
Molecular FormulaC14H27ClO
Molecular Weight246.82 g/mol
Exact Mass246.18
IUPAC Name1-(6-chlorohexoxy)-2-ethylcyclohexane
SMILESCCC1CCCCC1OCCCCCCCl
InChIInChI=1S/C14H27ClO/c1-2-13-9-5-6-10-14(13)16-12-8-4-3-7-11-15/h13-14H,2-12H2,1H3
InChIKeyDFTNUKRVPISAKT-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.82
LogP ≤ 54.77
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-(5-chloropentoxy)-2-ethylcyclohexane
CID 43348434
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
1-(4-bromobutoxy)-2-propylcyclohexane
CID 139649149
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
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-(6-chlorohexoxy)-2-ethylcyclohexane?
The IUPAC name of 1-(6-chlorohexoxy)-2-ethylcyclohexane (CID 63499299) is 1-(6-chlorohexoxy)-2-ethylcyclohexane.
What is the SMILES notation for 1-(6-chlorohexoxy)-2-ethylcyclohexane?
The canonical SMILES for 1-(6-chlorohexoxy)-2-ethylcyclohexane is CCC1CCCCC1OCCCCCCCl.
What is the InChIKey of 1-(6-chlorohexoxy)-2-ethylcyclohexane?
The InChIKey is DFTNUKRVPISAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO/c1-2-13-9-5-6-10-14(13)16-12-8-4-3-7-11-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-(6-chlorohexoxy)-2-ethylcyclohexane?
1-(6-chlorohexoxy)-2-ethylcyclohexane has a molecular weight of 246.82 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexoxy)-2-ethylcyclohexane is sourced from PubChem (CID 63499299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).