2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane

C10H16O2 — CID 5373349

IUPAC2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane
SMILESCC(C)=C/C=C/C1(C)OCCO1
InChIInChI=1S/C10H16O2/c1-9(2)5-4-6-10(3)11-7-8-12-10/h4-6H,7-8H2,1-3H3/b6-4+
InChIKeyKORNGKWOKYCRTL-GQCTYLIASA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane

2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane (PubChem CID 5373349) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane
PubChem CID5373349
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane
SMILESCC(C)=C/C=C/C1(C)OCCO1
InChIInChI=1S/C10H16O2/c1-9(2)5-4-6-10(3)11-7-8-12-10/h4-6H,7-8H2,1-3H3/b6-4+
InChIKeyKORNGKWOKYCRTL-GQCTYLIASA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane, 4-(3-methoxyprop-2-enylidene)-2,2,5,5-tetramethyl-
CID 6434384
8-Methylene-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 23437389
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
CID 58005043
1,4-Dioxaspiro[4.6]undeca-6,8,10-triene
CID 11469161
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
(3aR,7aS)-2,2,4-trimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 11052017
2,2-Bis(2-methylprop-1-enyl)-1,3-dioxolane
CID 23064938
4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane
CID 11970580
4-Piperidinamine,1-methyl-3-(1-methylethyl)-
CID 53426669
1,3-Benzodioxole, 3a,7a-dihydro-2,2,4-trimethyl-
CID 573109
(E)-2-methyl-2-(prop-1-en-1-yl)-1,3-dioxolane
CID 10855469
2-Methyl-2-(2-methylprop-1-enyl)-1,3-dioxolane
CID 15564251

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane (CID 5373349) is 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane is CC(C)=C/C=C/C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane?
The InChIKey is KORNGKWOKYCRTL-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)5-4-6-10(3)11-7-8-12-10/h4-6H,7-8H2,1-3H3/b6-4+.
What are the key properties of 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane?
2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3-dioxolane is sourced from PubChem (CID 5373349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).