2-(4-chloro-4-cyclopropylbutyl)oxolane

C11H19ClO — CID 64506432

IUPAC2-(4-chloro-4-cyclopropylbutyl)oxolane
SMILESClC(CCCC1CCCO1)C1CC1
InChIInChI=1S/C11H19ClO/c12-11(9-6-7-9)5-1-3-10-4-2-8-13-10/h9-11H,1-8H2
InChIKeyOTHHXNVECAZRHS-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-chloro-4-cyclopropylbutyl)oxolane

2-(4-chloro-4-cyclopropylbutyl)oxolane (PubChem CID 64506432) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 2-(4-chloro-4-cyclopropylbutyl)oxolane.

Molecular Properties

Compound Name2-(4-chloro-4-cyclopropylbutyl)oxolane
PubChem CID64506432
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name2-(4-chloro-4-cyclopropylbutyl)oxolane
SMILESClC(CCCC1CCCO1)C1CC1
InChIInChI=1S/C11H19ClO/c12-11(9-6-7-9)5-1-3-10-4-2-8-13-10/h9-11H,1-8H2
InChIKeyOTHHXNVECAZRHS-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105104877
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-4-cyclopropylbutyl)oxolane?
The IUPAC name of 2-(4-chloro-4-cyclopropylbutyl)oxolane (CID 64506432) is 2-(4-chloro-4-cyclopropylbutyl)oxolane.
What is the SMILES notation for 2-(4-chloro-4-cyclopropylbutyl)oxolane?
The canonical SMILES for 2-(4-chloro-4-cyclopropylbutyl)oxolane is ClC(CCCC1CCCO1)C1CC1.
What is the InChIKey of 2-(4-chloro-4-cyclopropylbutyl)oxolane?
The InChIKey is OTHHXNVECAZRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c12-11(9-6-7-9)5-1-3-10-4-2-8-13-10/h9-11H,1-8H2.
What are the key properties of 2-(4-chloro-4-cyclopropylbutyl)oxolane?
2-(4-chloro-4-cyclopropylbutyl)oxolane has a molecular weight of 202.72 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-4-cyclopropylbutyl)oxolane is sourced from PubChem (CID 64506432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).