ethane;3-hexan-2-yl-5-prop-2-enyldioxolane

C14H28O2 — CID 155699389

IUPACethane;3-hexan-2-yl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)CCCC)OO1.CC
InChIInChI=1S/C12H22O2.C2H6/c1-4-6-8-10(3)12-9-11(7-5-2)13-14-12;1-2/h5,10-12H,2,4,6-9H2,1,3H3;1-2H3
InChIKeyWRBVFJCIWATXFW-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.50
Rot. Bonds6

About ethane;3-hexan-2-yl-5-prop-2-enyldioxolane

ethane;3-hexan-2-yl-5-prop-2-enyldioxolane (PubChem CID 155699389) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;3-hexan-2-yl-5-prop-2-enyldioxolane.

Molecular Properties

Compound Nameethane;3-hexan-2-yl-5-prop-2-enyldioxolane
PubChem CID155699389
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nameethane;3-hexan-2-yl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)CCCC)OO1.CC
InChIInChI=1S/C12H22O2.C2H6/c1-4-6-8-10(3)12-9-11(7-5-2)13-14-12;1-2/h5,10-12H,2,4,6-9H2,1,3H3;1-2H3
InChIKeyWRBVFJCIWATXFW-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-hexan-2-yl-5-prop-2-enyldioxolane 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 ethane;3-hexan-2-yl-5-prop-2-enyldioxolane?
The IUPAC name of ethane;3-hexan-2-yl-5-prop-2-enyldioxolane (CID 155699389) is ethane;3-hexan-2-yl-5-prop-2-enyldioxolane.
What is the SMILES notation for ethane;3-hexan-2-yl-5-prop-2-enyldioxolane?
The canonical SMILES for ethane;3-hexan-2-yl-5-prop-2-enyldioxolane is C=CCC1CC(C(C)CCCC)OO1.CC.
What is the InChIKey of ethane;3-hexan-2-yl-5-prop-2-enyldioxolane?
The InChIKey is WRBVFJCIWATXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C2H6/c1-4-6-8-10(3)12-9-11(7-5-2)13-14-12;1-2/h5,10-12H,2,4,6-9H2,1,3H3;1-2H3.
What are the key properties of ethane;3-hexan-2-yl-5-prop-2-enyldioxolane?
ethane;3-hexan-2-yl-5-prop-2-enyldioxolane has a molecular weight of 228.38 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hexan-2-yl-5-prop-2-enyldioxolane is sourced from PubChem (CID 155699389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).