4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane

C10H18O2 — CID 13471388

IUPAC4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane
SMILESCCC/C=C/C1OCCC(C)O1
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10-11-8-7-9(2)12-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyZPMQDOUFYGGEPN-AATRIKPKSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds3

About 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane

4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane (PubChem CID 13471388) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane
PubChem CID13471388
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane
SMILESCCC/C=C/C1OCCC(C)O1
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10-11-8-7-9(2)12-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyZPMQDOUFYGGEPN-AATRIKPKSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexenal diethyl acetal, (2E)-
CID 5365137
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
2,6-Nonadienal diethyl acetal
CID 6437114
1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-
CID 5356478
1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,4,6-trimethyl-
CID 6437441
2-(2,6-Dimethyl-1,5-heptadien-1-yl)-1,3-dioxane
CID 793796
(2Z)-1-(1-Ethoxyethoxy)-2-hexene
CID 20841373
2-Heptene, 1,1-diethoxy-
CID 89392
2-Pentene, 1,1-diethoxy-
CID 6438064

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane?
The IUPAC name of 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane (CID 13471388) is 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane.
What is the SMILES notation for 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane?
The canonical SMILES for 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane is CCC/C=C/C1OCCC(C)O1.
What is the InChIKey of 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane?
The InChIKey is ZPMQDOUFYGGEPN-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-10-11-8-7-9(2)12-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane?
4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxane is sourced from PubChem (CID 13471388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).