2-hexyl-2-methyloxolane

C11H22O — CID 10964962

IUPAC2-hexyl-2-methyloxolane
SMILESCCCCCCC1(C)CCCO1
InChIInChI=1S/C11H22O/c1-3-4-5-6-8-11(2)9-7-10-12-11/h3-10H2,1-2H3
InChIKeyLSHSOBSARJKVRN-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds5

About 2-hexyl-2-methyloxolane

2-hexyl-2-methyloxolane (PubChem CID 10964962) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-hexyl-2-methyloxolane.

Molecular Properties

Compound Name2-hexyl-2-methyloxolane
PubChem CID10964962
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-hexyl-2-methyloxolane
SMILESCCCCCCC1(C)CCCO1
InChIInChI=1S/C11H22O/c1-3-4-5-6-8-11(2)9-7-10-12-11/h3-10H2,1-2H3
InChIKeyLSHSOBSARJKVRN-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexyl-2-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclododecane, 1-methoxy-1-methyl-
CID 161949
Cyclododeca(c)furan, tetradecahydro-
CID 170687
1-Oxaspiro(4.7)dodecane
CID 112802
Tetradecahydrocyclododeca[b]furan
CID 14687820
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
1-Oxaspiro(4.5)decane
CID 301168
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
(Ethoxymethyl)cyclododecane
CID 3018713
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663
2,2-Diethyl-tetrahydro-furan
CID 12476217
2-tert-Butyl-5-methyl-2-propyltetrahydrofuran
CID 11658402
3-Octyloxolane
CID 85711919

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-methyloxolane?
The IUPAC name of 2-hexyl-2-methyloxolane (CID 10964962) is 2-hexyl-2-methyloxolane.
What is the SMILES notation for 2-hexyl-2-methyloxolane?
The canonical SMILES for 2-hexyl-2-methyloxolane is CCCCCCC1(C)CCCO1.
What is the InChIKey of 2-hexyl-2-methyloxolane?
The InChIKey is LSHSOBSARJKVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-4-5-6-8-11(2)9-7-10-12-11/h3-10H2,1-2H3.
What are the key properties of 2-hexyl-2-methyloxolane?
2-hexyl-2-methyloxolane has a molecular weight of 170.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methyloxolane is sourced from PubChem (CID 10964962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).