2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane

C10H16O2 — CID 142850190

IUPAC2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane
SMILESC/C=C\C=C/C(C)C1OCCO1
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9(2)10-11-7-8-12-10/h3-6,9-10H,7-8H2,1-2H3/b4-3-,6-5-
InChIKeyJTILGBHRISZWKN-OUPQRBNQSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds3

About 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane

2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane (PubChem CID 142850190) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane
PubChem CID142850190
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane
SMILESC/C=C\C=C/C(C)C1OCCO1
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9(2)10-11-7-8-12-10/h3-6,9-10H,7-8H2,1-2H3/b4-3-,6-5-
InChIKeyJTILGBHRISZWKN-OUPQRBNQSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane (CID 142850190) is 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane is C/C=C\C=C/C(C)C1OCCO1.
What is the InChIKey of 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane?
The InChIKey is JTILGBHRISZWKN-OUPQRBNQSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-9(2)10-11-7-8-12-10/h3-6,9-10H,7-8H2,1-2H3/b4-3-,6-5-.
What are the key properties of 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane?
2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z)-hepta-3,5-dien-2-yl]-1,3-dioxolane is sourced from PubChem (CID 142850190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).