2-(3-chloro-2,2-dimethylpropyl)oxolane

C9H17ClO — CID 66059944

IUPAC2-(3-chloro-2,2-dimethylpropyl)oxolane
SMILESCC(C)(CCl)CC1CCCO1
InChIInChI=1S/C9H17ClO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7H2,1-2H3
InChIKeyNOHADRPAAIJJSF-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.82
Rot. Bonds3

About 2-(3-chloro-2,2-dimethylpropyl)oxolane

2-(3-chloro-2,2-dimethylpropyl)oxolane (PubChem CID 66059944) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-(3-chloro-2,2-dimethylpropyl)oxolane.

Molecular Properties

Compound Name2-(3-chloro-2,2-dimethylpropyl)oxolane
PubChem CID66059944
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name2-(3-chloro-2,2-dimethylpropyl)oxolane
SMILESCC(C)(CCl)CC1CCCO1
InChIInChI=1S/C9H17ClO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7H2,1-2H3
InChIKeyNOHADRPAAIJJSF-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.82
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

2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574
(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
CID 130439180
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
2-[2-(bromomethyl)-2-methylbutyl]oxolane
CID 66050711
2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
CID 114773001

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,2-dimethylpropyl)oxolane?
The IUPAC name of 2-(3-chloro-2,2-dimethylpropyl)oxolane (CID 66059944) is 2-(3-chloro-2,2-dimethylpropyl)oxolane.
What is the SMILES notation for 2-(3-chloro-2,2-dimethylpropyl)oxolane?
The canonical SMILES for 2-(3-chloro-2,2-dimethylpropyl)oxolane is CC(C)(CCl)CC1CCCO1.
What is the InChIKey of 2-(3-chloro-2,2-dimethylpropyl)oxolane?
The InChIKey is NOHADRPAAIJJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-9(2,7-10)6-8-4-3-5-11-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3-chloro-2,2-dimethylpropyl)oxolane?
2-(3-chloro-2,2-dimethylpropyl)oxolane has a molecular weight of 176.69 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,2-dimethylpropyl)oxolane is sourced from PubChem (CID 66059944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).