2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane

C15H28O2 — CID 90239151

IUPAC2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C/CCC1(C)OCCO1)CCCC(C)C
InChIInChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h9,13H,5-8,10-12H2,1-4H3/b14-9-
InChIKeyRMZFBVITHXNIPQ-ZROIWOOFSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds7

About 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane

2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane (PubChem CID 90239151) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
PubChem CID90239151
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C/CCC1(C)OCCO1)CCCC(C)C
InChIInChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h9,13H,5-8,10-12H2,1-4H3/b14-9-
InChIKeyRMZFBVITHXNIPQ-ZROIWOOFSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
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

2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 109257
2,6-Dimethyl-5-heptenal propylene glycol acetal
CID 44153717
1,3-Dioxolane, 2-((2S)-2,6-dimethyl-5-hepten-1-yl)-
CID 86410
1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-
CID 11970548
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 77280
1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-4-methyl-
CID 2839799
4,5-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3115170
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541153
2-(5,9-Dimethyldec-8-enyl)-1,3-dioxolane
CID 134979706
2-methyl-2-[(E)-4-methylhex-3-enyl]-1,3-dioxolane
CID 12541151
7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 24859456

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane (CID 90239151) is 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane is C/C(=C/CCC1(C)OCCO1)CCCC(C)C.
What is the InChIKey of 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is RMZFBVITHXNIPQ-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h9,13H,5-8,10-12H2,1-4H3/b14-9-.
What are the key properties of 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 90239151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).