2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane

C13H22O2 — CID 71587623

IUPAC2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C\C1OCC(C)O1
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8-
InChIKeyDWZRENGNFQNWQZ-FLIBITNWSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds4

About 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane (PubChem CID 71587623) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane
PubChem CID71587623
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C\C1OCC(C)O1
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8-
InChIKeyDWZRENGNFQNWQZ-FLIBITNWSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane
CID 11446544
dimethyl (4R,5R)-2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
CID 139918117
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-oxathiolane
CID 53423091
dipropyl (4R,5R)-2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
CID 139918119
2-methyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
CID 173481188
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran
CID 11790665

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane?
The IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane (CID 71587623) is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane is CC(C)=CCC/C(C)=C\C1OCC(C)O1.
What is the InChIKey of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane?
The InChIKey is DWZRENGNFQNWQZ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8-.
What are the key properties of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane?
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 71587623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).