2-chloro-4-methyl-3-pentyloxolane

C10H19ClO — CID 23124354

IUPAC2-chloro-4-methyl-3-pentyloxolane
SMILESCCCCCC1C(C)COC1Cl
InChIInChI=1S/C10H19ClO/c1-3-4-5-6-9-8(2)7-12-10(9)11/h8-10H,3-7H2,1-2H3
InChIKeyIHVVRRYZSZTXPG-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.41
Rot. Bonds4

About 2-chloro-4-methyl-3-pentyloxolane

2-chloro-4-methyl-3-pentyloxolane (PubChem CID 23124354) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 2-chloro-4-methyl-3-pentyloxolane.

Molecular Properties

Compound Name2-chloro-4-methyl-3-pentyloxolane
PubChem CID23124354
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name2-chloro-4-methyl-3-pentyloxolane
SMILESCCCCCC1C(C)COC1Cl
InChIInChI=1S/C10H19ClO/c1-3-4-5-6-9-8(2)7-12-10(9)11/h8-10H,3-7H2,1-2H3
InChIKeyIHVVRRYZSZTXPG-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-3-pentyloxolane?
The IUPAC name of 2-chloro-4-methyl-3-pentyloxolane (CID 23124354) is 2-chloro-4-methyl-3-pentyloxolane.
What is the SMILES notation for 2-chloro-4-methyl-3-pentyloxolane?
The canonical SMILES for 2-chloro-4-methyl-3-pentyloxolane is CCCCCC1C(C)COC1Cl.
What is the InChIKey of 2-chloro-4-methyl-3-pentyloxolane?
The InChIKey is IHVVRRYZSZTXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-3-4-5-6-9-8(2)7-12-10(9)11/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-3-pentyloxolane?
2-chloro-4-methyl-3-pentyloxolane has a molecular weight of 190.71 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-3-pentyloxolane is sourced from PubChem (CID 23124354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).