8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

C17H28O2 — CID 57228184

IUPAC8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC(C)CC1C2C=CCCC2(C(C)C)C12OCCO2
InChIInChI=1S/C17H28O2/c1-12(2)11-15-14-7-5-6-8-16(14,13(3)4)17(15)18-9-10-19-17/h5,7,12-15H,6,8-11H2,1-4H3
InChIKeyCDSPTZHDGUYRFP-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.01
Rot. Bonds3

About 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57228184) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57228184
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC(C)CC1C2C=CCCC2(C(C)C)C12OCCO2
InChIInChI=1S/C17H28O2/c1-12(2)11-15-14-7-5-6-8-16(14,13(3)4)17(15)18-9-10-19-17/h5,7,12-15H,6,8-11H2,1-4H3
InChIKeyCDSPTZHDGUYRFP-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] 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

1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
1,3-Dioxolane, 2-methyl-2-(3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)-
CID 111400
Bicyclo[4.2.0]oct-2-en-7-one ethylene ketal
CID 567357
(1'S,6'S,8'S)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 10012521
(1'S,6'S,8'R)-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 10081007
(3'aS,5'Z,9'aR)-3'a-methylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]
CID 10977046
2-Methyl-2-(1,2,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980617
2-methyl-2-[(1S,6R)-1,2,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991156
(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene
CID 135036827
2-[(6S,7aS,7bS)-5,5,7b-trimethyl-2,6,7,7a-tetrahydro-1H-cyclobuta[e]inden-6-yl]-2-methyl-1,3-dioxolane
CID 154720140
8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
CID 155935847
(1'S,3'aR,7'aR)-1',3'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydro-1H-indene]
CID 175664972

Frequently Asked Questions

What is the IUPAC name of 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57228184) is 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CC(C)CC1C2C=CCCC2(C(C)C)C12OCCO2.
What is the InChIKey of 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is CDSPTZHDGUYRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12(2)11-15-14-7-5-6-8-16(14,13(3)4)17(15)18-9-10-19-17/h5,7,12-15H,6,8-11H2,1-4H3.
What are the key properties of 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 264.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-(2-methylpropyl)-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57228184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).