4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane

C12H20O2 — CID 16753291

IUPAC4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C/C=C/CCCC1COC(C)(C)O1
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4-6,11H,1,7-10H2,2-3H3/b6-5+
InChIKeyLIMCEIFNBUPZML-AATRIKPKSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds5

About 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane

4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 16753291) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID16753291
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C/C=C/CCCC1COC(C)(C)O1
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4-6,11H,1,7-10H2,2-3H3/b6-5+
InChIKeyLIMCEIFNBUPZML-AATRIKPKSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 11063132
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanenitrile
CID 14374516
CID 59269279
CID 59269279

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane (CID 16753291) is 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane is C=C/C=C/CCCC1COC(C)(C)O1.
What is the InChIKey of 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is LIMCEIFNBUPZML-AATRIKPKSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4-6,11H,1,7-10H2,2-3H3/b6-5+.
What are the key properties of 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane?
4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 16753291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).