3-methyl-4-(5-methylhept-1-en-2-yl)oxolane

C13H24O — CID 91051023

IUPAC3-methyl-4-(5-methylhept-1-en-2-yl)oxolane
SMILESC=C(CCC(C)CC)C1COCC1C
InChIInChI=1S/C13H24O/c1-5-10(2)6-7-11(3)13-9-14-8-12(13)4/h10,12-13H,3,5-9H2,1-2,4H3
InChIKeyMQOVTKMQTRMAMJ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.65
Rot. Bonds5

About 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane

3-methyl-4-(5-methylhept-1-en-2-yl)oxolane (PubChem CID 91051023) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane.

Molecular Properties

Compound Name3-methyl-4-(5-methylhept-1-en-2-yl)oxolane
PubChem CID91051023
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-methyl-4-(5-methylhept-1-en-2-yl)oxolane
SMILESC=C(CCC(C)CC)C1COCC1C
InChIInChI=1S/C13H24O/c1-5-10(2)6-7-11(3)13-9-14-8-12(13)4/h10,12-13H,3,5-9H2,1-2,4H3
InChIKeyMQOVTKMQTRMAMJ-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.65
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 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane?
The IUPAC name of 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane (CID 91051023) is 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane.
What is the SMILES notation for 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane?
The canonical SMILES for 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane is C=C(CCC(C)CC)C1COCC1C.
What is the InChIKey of 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane?
The InChIKey is MQOVTKMQTRMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-10(2)6-7-11(3)13-9-14-8-12(13)4/h10,12-13H,3,5-9H2,1-2,4H3.
What are the key properties of 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane?
3-methyl-4-(5-methylhept-1-en-2-yl)oxolane has a molecular weight of 196.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methylhept-1-en-2-yl)oxolane is sourced from PubChem (CID 91051023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).