2-heptyl-2-methyloxolane

C12H24O — CID 66630336

IUPAC2-heptyl-2-methyloxolane
SMILESCCCCCCCC1(C)CCCO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-9-12(2)10-8-11-13-12/h3-11H2,1-2H3
InChIKeyXFKYWQVUUIZOFI-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds6

About 2-heptyl-2-methyloxolane

2-heptyl-2-methyloxolane (PubChem CID 66630336) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-heptyl-2-methyloxolane.

Molecular Properties

Compound Name2-heptyl-2-methyloxolane
PubChem CID66630336
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-heptyl-2-methyloxolane
SMILESCCCCCCCC1(C)CCCO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-9-12(2)10-8-11-13-12/h3-11H2,1-2H3
InChIKeyXFKYWQVUUIZOFI-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-methyloxolane?
The IUPAC name of 2-heptyl-2-methyloxolane (CID 66630336) is 2-heptyl-2-methyloxolane.
What is the SMILES notation for 2-heptyl-2-methyloxolane?
The canonical SMILES for 2-heptyl-2-methyloxolane is CCCCCCCC1(C)CCCO1.
What is the InChIKey of 2-heptyl-2-methyloxolane?
The InChIKey is XFKYWQVUUIZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-6-7-9-12(2)10-8-11-13-12/h3-11H2,1-2H3.
What are the key properties of 2-heptyl-2-methyloxolane?
2-heptyl-2-methyloxolane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-methyloxolane is sourced from PubChem (CID 66630336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).