2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane

C16H26O2 — CID 170327009

IUPAC2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane
SMILESCC1=CC(CC(C)C)CC(CCC2OCCO2)=C1
InChIInChI=1S/C16H26O2/c1-12(2)8-15-10-13(3)9-14(11-15)4-5-16-17-6-7-18-16/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKeyFGVIXDILTZLRFU-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.08
Rot. Bonds5

About 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane

2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane (PubChem CID 170327009) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane
PubChem CID170327009
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane
SMILESCC1=CC(CC(C)C)CC(CCC2OCCO2)=C1
InChIInChI=1S/C16H26O2/c1-12(2)8-15-10-13(3)9-14(11-15)4-5-16-17-6-7-18-16/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKeyFGVIXDILTZLRFU-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-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 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane (CID 170327009) is 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane is CC1=CC(CC(C)C)CC(CCC2OCCO2)=C1.
What is the InChIKey of 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane?
The InChIKey is FGVIXDILTZLRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12(2)8-15-10-13(3)9-14(11-15)4-5-16-17-6-7-18-16/h9-10,12,15-16H,4-8,11H2,1-3H3.
What are the key properties of 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane?
2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane has a molecular weight of 250.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methyl-5-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 170327009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).