(3E)-3-hexylidene-4-methylideneoxolane

C11H18O — CID 134993773

IUPAC(3E)-3-hexylidene-4-methylideneoxolane
SMILESC=C1COC/C1=C/CCCCC
InChIInChI=1S/C11H18O/c1-3-4-5-6-7-11-9-12-8-10(11)2/h7H,2-6,8-9H2,1H3/b11-7-
InChIKeyATMLZRDMASXNGQ-XFFZJAGNSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds4

About (3E)-3-hexylidene-4-methylideneoxolane

(3E)-3-hexylidene-4-methylideneoxolane (PubChem CID 134993773) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E)-3-hexylidene-4-methylideneoxolane.

Molecular Properties

Compound Name(3E)-3-hexylidene-4-methylideneoxolane
PubChem CID134993773
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E)-3-hexylidene-4-methylideneoxolane
SMILESC=C1COC/C1=C/CCCCC
InChIInChI=1S/C11H18O/c1-3-4-5-6-7-11-9-12-8-10(11)2/h7H,2-6,8-9H2,1H3/b11-7-
InChIKeyATMLZRDMASXNGQ-XFFZJAGNSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
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 (3E)-3-hexylidene-4-methylideneoxolane?
The IUPAC name of (3E)-3-hexylidene-4-methylideneoxolane (CID 134993773) is (3E)-3-hexylidene-4-methylideneoxolane.
What is the SMILES notation for (3E)-3-hexylidene-4-methylideneoxolane?
The canonical SMILES for (3E)-3-hexylidene-4-methylideneoxolane is C=C1COC/C1=C/CCCCC.
What is the InChIKey of (3E)-3-hexylidene-4-methylideneoxolane?
The InChIKey is ATMLZRDMASXNGQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H18O/c1-3-4-5-6-7-11-9-12-8-10(11)2/h7H,2-6,8-9H2,1H3/b11-7-.
What are the key properties of (3E)-3-hexylidene-4-methylideneoxolane?
(3E)-3-hexylidene-4-methylideneoxolane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hexylidene-4-methylideneoxolane is sourced from PubChem (CID 134993773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).