2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane

C11H19ClO — CID 106798501

IUPAC2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane
SMILESCC(Cl)C1(CCC2CCCO2)CC1
InChIInChI=1S/C11H19ClO/c1-9(12)11(6-7-11)5-4-10-3-2-8-13-10/h9-10H,2-8H2,1H3
InChIKeyNLVNEAJEDIIILJ-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane

2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane (PubChem CID 106798501) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane.

Molecular Properties

Compound Name2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane
PubChem CID106798501
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane
SMILESCC(Cl)C1(CCC2CCCO2)CC1
InChIInChI=1S/C11H19ClO/c1-9(12)11(6-7-11)5-4-10-3-2-8-13-10/h9-10H,2-8H2,1H3
InChIKeyNLVNEAJEDIIILJ-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.35
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

1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 65166397
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2,2-dimethyl-1-[2-(oxolan-2-yl)ethyl]cyclohexan-1-ol
CID 79847009
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane?
The IUPAC name of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane (CID 106798501) is 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane.
What is the SMILES notation for 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane?
The canonical SMILES for 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane is CC(Cl)C1(CCC2CCCO2)CC1.
What is the InChIKey of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane?
The InChIKey is NLVNEAJEDIIILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-9(12)11(6-7-11)5-4-10-3-2-8-13-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane?
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane has a molecular weight of 202.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane is sourced from PubChem (CID 106798501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).