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

C10H16O — CID 123144803

IUPAC2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1CCC2CCCCC2O1
InChIInChI=1S/C10H16O/c1-8-6-7-9-4-2-3-5-10(9)11-8/h9-10H,1-7H2
InChIKeyXDJTWGFBSICHCN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.87
Rot. Bonds

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

2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (PubChem CID 123144803) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
PubChem CID123144803
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
SMILESC=C1CCC2CCCCC2O1
InChIInChI=1S/C10H16O/c1-8-6-7-9-4-2-3-5-10(9)11-8/h9-10H,1-7H2
InChIKeyXDJTWGFBSICHCN-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,5,6,7,8,8a-Hexahydro-4H-1-benzopyran
CID 85782364
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
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
3-Methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 23391646
4-Methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 23391655
(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 59914930
(4aS,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 59914933
8-Methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 89099142
5-Methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 89099155

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The IUPAC name of 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene (CID 123144803) is 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene.
What is the SMILES notation for 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The canonical SMILES for 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is C=C1CCC2CCCCC2O1.
What is the InChIKey of 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
The InChIKey is XDJTWGFBSICHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-6-7-9-4-2-3-5-10(9)11-8/h9-10H,1-7H2.
What are the key properties of 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene?
2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene has a molecular weight of 152.24 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene is sourced from PubChem (CID 123144803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).