4-chloro-2-methyl-2-(oxolan-2-yl)oxane

C10H17ClO2 — CID 130577734

IUPAC4-chloro-2-methyl-2-(oxolan-2-yl)oxane
SMILESCC1(C2CCCO2)CC(Cl)CCO1
InChIInChI=1S/C10H17ClO2/c1-10(9-3-2-5-12-9)7-8(11)4-6-13-10/h8-9H,2-7H2,1H3
InChIKeyPBHSYHNOKRAICV-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.34
Rot. Bonds1

About 4-chloro-2-methyl-2-(oxolan-2-yl)oxane

4-chloro-2-methyl-2-(oxolan-2-yl)oxane (PubChem CID 130577734) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 4-chloro-2-methyl-2-(oxolan-2-yl)oxane.

Molecular Properties

Compound Name4-chloro-2-methyl-2-(oxolan-2-yl)oxane
PubChem CID130577734
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name4-chloro-2-methyl-2-(oxolan-2-yl)oxane
SMILESCC1(C2CCCO2)CC(Cl)CCO1
InChIInChI=1S/C10H17ClO2/c1-10(9-3-2-5-12-9)7-8(11)4-6-13-10/h8-9H,2-7H2,1H3
InChIKeyPBHSYHNOKRAICV-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-11,11-dimethyl-1-oxaspiro[5.5]undecane
CID 79852870
9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane
CID 79863526
2-(1-methylcyclohexyl)oxolane
CID 23594551
2-(1,2-dimethylcyclopropyl)oxane
CID 57035000
6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
CID 130583331
2-(bromomethyl)-2-(oxolan-2-yl)oxolane
CID 165443348
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913
4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
CID 107450417
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 19873304
2-methyl-1-(oxan-2-yl)cyclopropan-1-amine
CID 84650279
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-2-(oxolan-2-yl)oxane?
The IUPAC name of 4-chloro-2-methyl-2-(oxolan-2-yl)oxane (CID 130577734) is 4-chloro-2-methyl-2-(oxolan-2-yl)oxane.
What is the SMILES notation for 4-chloro-2-methyl-2-(oxolan-2-yl)oxane?
The canonical SMILES for 4-chloro-2-methyl-2-(oxolan-2-yl)oxane is CC1(C2CCCO2)CC(Cl)CCO1.
What is the InChIKey of 4-chloro-2-methyl-2-(oxolan-2-yl)oxane?
The InChIKey is PBHSYHNOKRAICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-10(9-3-2-5-12-9)7-8(11)4-6-13-10/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-2-methyl-2-(oxolan-2-yl)oxane?
4-chloro-2-methyl-2-(oxolan-2-yl)oxane has a molecular weight of 204.70 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-2-(oxolan-2-yl)oxane is sourced from PubChem (CID 130577734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).