2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane

C15H27ClO — CID 65165949

IUPAC2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
SMILESCCC1CCC(Cl)C(CCCC2CCCO2)C1
InChIInChI=1S/C15H27ClO/c1-2-12-8-9-15(16)13(11-12)5-3-6-14-7-4-10-17-14/h12-15H,2-11H2,1H3
InChIKeySOAGKISBYVXMHZ-UHFFFAOYSA-N
MW258.83 g/mol
LogP4.77
Rot. Bonds5

About 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane

2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane (PubChem CID 65165949) has the molecular formula C15H27ClO and a molecular weight of 258.83 g/mol. Its IUPAC name is 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
PubChem CID65165949
Molecular FormulaC15H27ClO
Molecular Weight258.83 g/mol
Exact Mass258.18
IUPAC Name2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
SMILESCCC1CCC(Cl)C(CCCC2CCCO2)C1
InChIInChI=1S/C15H27ClO/c1-2-12-8-9-15(16)13(11-12)5-3-6-14-7-4-10-17-14/h12-15H,2-11H2,1H3
InChIKeySOAGKISBYVXMHZ-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.83
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexan-1-ol
CID 65166209
N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine
CID 81031337
2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
CID 65166473
1-chloro-4-ethyl-2-(3-methylsulfonylpropyl)cyclohexane
CID 63195682
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane
CID 63461508
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-tetradecyloxolane
CID 10683364
4-ethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 62610434
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 65162768
(2R)-2-ethyloxolane
CID 641529

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane?
The IUPAC name of 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane (CID 65165949) is 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane.
What is the SMILES notation for 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane?
The canonical SMILES for 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane is CCC1CCC(Cl)C(CCCC2CCCO2)C1.
What is the InChIKey of 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane?
The InChIKey is SOAGKISBYVXMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO/c1-2-12-8-9-15(16)13(11-12)5-3-6-14-7-4-10-17-14/h12-15H,2-11H2,1H3.
What are the key properties of 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane?
2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane has a molecular weight of 258.83 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane is sourced from PubChem (CID 65165949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).