4-methyl-2-pent-1-enyl-1,3-dioxolane

C9H16O2 — CID 574707

IUPAC4-methyl-2-pent-1-enyl-1,3-dioxolane
SMILESCCCC=CC1OCC(C)O1
InChIInChI=1S/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyWMWBRDXHCMVBJG-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds3

About 4-methyl-2-pent-1-enyl-1,3-dioxolane

4-methyl-2-pent-1-enyl-1,3-dioxolane (PubChem CID 574707) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-methyl-2-pent-1-enyl-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-pent-1-enyl-1,3-dioxolane
PubChem CID574707
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-methyl-2-pent-1-enyl-1,3-dioxolane
SMILESCCCC=CC1OCC(C)O1
InChIInChI=1S/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyWMWBRDXHCMVBJG-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
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-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
Geranial propylene glycol acetal
CID 5338463
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
Citracetal
CID 1615097
Furan, 2,5-dihydro-2,5-dimethoxy-2-methyl-
CID 90772
2,6-Nonadienal diethyl acetal
CID 6437114
1,3-Dioxolane, 4-methyl-2-propenyl-
CID 5385682
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pent-1-enyl-1,3-dioxolane?
The IUPAC name of 4-methyl-2-pent-1-enyl-1,3-dioxolane (CID 574707) is 4-methyl-2-pent-1-enyl-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-pent-1-enyl-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-pent-1-enyl-1,3-dioxolane is CCCC=CC1OCC(C)O1.
What is the InChIKey of 4-methyl-2-pent-1-enyl-1,3-dioxolane?
The InChIKey is WMWBRDXHCMVBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 4-methyl-2-pent-1-enyl-1,3-dioxolane?
4-methyl-2-pent-1-enyl-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pent-1-enyl-1,3-dioxolane is sourced from PubChem (CID 574707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).