7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene

C10H16O — CID 91315177

IUPAC7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene
SMILESC=C1CCC2CCCOC2C1
InChIInChI=1S/C10H16O/c1-8-4-5-9-3-2-6-11-10(9)7-8/h9-10H,1-7H2
InChIKeyGXAWDBGSTLKHIP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene

7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene (PubChem CID 91315177) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene.

Molecular Properties

Compound Name7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene
PubChem CID91315177
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene
SMILESC=C1CCC2CCCOC2C1
InChIInChI=1S/C10H16O/c1-8-4-5-9-3-2-6-11-10(9)7-8/h9-10H,1-7H2
InChIKeyGXAWDBGSTLKHIP-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene 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-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
6-Fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene
CID 90730453
8-Fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123177508
7,8-Difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123500113
7-Fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123730573
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
CID 14437955
(2R,4aS,8aR)-2-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 101840402
(2R,3S)-2-cyclohexyl-3-ethenyloxane
CID 134931451
5-methylidene-3,4,5a,6,7,8,9,9a-octahydro-2H-benzo[b]oxepine
CID 135062168
(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
CID 102095302

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene?
The IUPAC name of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene (CID 91315177) is 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene.
What is the SMILES notation for 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene?
The canonical SMILES for 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene is C=C1CCC2CCCOC2C1.
What is the InChIKey of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene?
The InChIKey is GXAWDBGSTLKHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-4-5-9-3-2-6-11-10(9)7-8/h9-10H,1-7H2.
What are the key properties of 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene?
7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene is sourced from PubChem (CID 91315177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).