2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde

C11H18O3 — CID 14271333

IUPAC2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde
SMILESCC(C)=CCCC1(CC=O)OCCO1
InChIInChI=1S/C11H18O3/c1-10(2)4-3-5-11(6-7-12)13-8-9-14-11/h4,7H,3,5-6,8-9H2,1-2H3
InChIKeyWXTOFOWJBQVMIF-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde

2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde (PubChem CID 14271333) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde
PubChem CID14271333
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde
SMILESCC(C)=CCCC1(CC=O)OCCO1
InChIInChI=1S/C11H18O3/c1-10(2)4-3-5-11(6-7-12)13-8-9-14-11/h4,7H,3,5-6,8-9H2,1-2H3
InChIKeyWXTOFOWJBQVMIF-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde (CID 14271333) is 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde is CC(C)=CCCC1(CC=O)OCCO1.
What is the InChIKey of 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde?
The InChIKey is WXTOFOWJBQVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)4-3-5-11(6-7-12)13-8-9-14-11/h4,7H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde?
2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde has a molecular weight of 198.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpent-3-enyl)-1,3-dioxolan-2-yl]acetaldehyde is sourced from PubChem (CID 14271333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).