4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane

C15H28O2S — CID 54370597

IUPAC4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane
SMILESCCCCCC=CSCC1COC(C)(CCC)O1
InChIInChI=1S/C15H28O2S/c1-4-6-7-8-9-11-18-13-14-12-16-15(3,17-14)10-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3
InChIKeyUSXNAYXPQHQPIJ-UHFFFAOYSA-N
MW272.45 g/mol
LogP4.75
Rot. Bonds9

About 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane

4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane (PubChem CID 54370597) has the molecular formula C15H28O2S and a molecular weight of 272.45 g/mol. Its IUPAC name is 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane
PubChem CID54370597
Molecular FormulaC15H28O2S
Molecular Weight272.45 g/mol
Exact Mass272.18
IUPAC Name4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane
SMILESCCCCCC=CSCC1COC(C)(CCC)O1
InChIInChI=1S/C15H28O2S/c1-4-6-7-8-9-11-18-13-14-12-16-15(3,17-14)10-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3
InChIKeyUSXNAYXPQHQPIJ-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane?
The IUPAC name of 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane (CID 54370597) is 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane.
What is the SMILES notation for 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane?
The canonical SMILES for 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane is CCCCCC=CSCC1COC(C)(CCC)O1.
What is the InChIKey of 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane?
The InChIKey is USXNAYXPQHQPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2S/c1-4-6-7-8-9-11-18-13-14-12-16-15(3,17-14)10-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3.
What are the key properties of 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane?
4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane has a molecular weight of 272.45 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hept-1-enylsulfanylmethyl)-2-methyl-2-propyl-1,3-dioxolane is sourced from PubChem (CID 54370597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).