2-methyl-5-(2-methyloct-4-enyl)oxolane

C14H26O — CID 68530298

IUPAC2-methyl-5-(2-methyloct-4-enyl)oxolane
SMILESCCCC=CCC(C)CC1CCC(C)O1
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-12(2)11-14-10-9-13(3)15-14/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyWCURGJQCDKTWGU-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds6

About 2-methyl-5-(2-methyloct-4-enyl)oxolane

2-methyl-5-(2-methyloct-4-enyl)oxolane (PubChem CID 68530298) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-5-(2-methyloct-4-enyl)oxolane.

Molecular Properties

Compound Name2-methyl-5-(2-methyloct-4-enyl)oxolane
PubChem CID68530298
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-methyl-5-(2-methyloct-4-enyl)oxolane
SMILESCCCC=CCC(C)CC1CCC(C)O1
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-12(2)11-14-10-9-13(3)15-14/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyWCURGJQCDKTWGU-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyloct-4-enyl)oxolane?
The IUPAC name of 2-methyl-5-(2-methyloct-4-enyl)oxolane (CID 68530298) is 2-methyl-5-(2-methyloct-4-enyl)oxolane.
What is the SMILES notation for 2-methyl-5-(2-methyloct-4-enyl)oxolane?
The canonical SMILES for 2-methyl-5-(2-methyloct-4-enyl)oxolane is CCCC=CCC(C)CC1CCC(C)O1.
What is the InChIKey of 2-methyl-5-(2-methyloct-4-enyl)oxolane?
The InChIKey is WCURGJQCDKTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-6-7-8-12(2)11-14-10-9-13(3)15-14/h6-7,12-14H,4-5,8-11H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methyloct-4-enyl)oxolane?
2-methyl-5-(2-methyloct-4-enyl)oxolane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyloct-4-enyl)oxolane is sourced from PubChem (CID 68530298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).