2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane

C11H20O2 — CID 11074074

IUPAC2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane
SMILESCC/C=C/CCCC1(C)OCCO1
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h4-5H,3,6-10H2,1-2H3/b5-4+
InChIKeyQRNUROXXYSJWEH-SNAWJCMRSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

About 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane

2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane (PubChem CID 11074074) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane
PubChem CID11074074
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane
SMILESCC/C=C/CCCC1(C)OCCO1
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h4-5H,3,6-10H2,1-2H3/b5-4+
InChIKeyQRNUROXXYSJWEH-SNAWJCMRSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane (CID 11074074) is 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane is CC/C=C/CCCC1(C)OCCO1.
What is the InChIKey of 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is QRNUROXXYSJWEH-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h4-5H,3,6-10H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane?
2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 11074074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).