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

C10H16O — CID 91184141

IUPAC6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CCC2OCCCC2C1
InChIInChI=1S/C10H16O/c1-8-4-5-10-9(7-8)3-2-6-11-10/h9-10H,1-7H2
InChIKeyCCASWONLFOYKEP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

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

6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (PubChem CID 91184141) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
PubChem CID91184141
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CCC2OCCCC2C1
InChIInChI=1S/C10H16O/c1-8-4-5-10-9(7-8)3-2-6-11-10/h9-10H,1-7H2
InChIKeyCCASWONLFOYKEP-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'}

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Related Compounds

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
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
1-Methylidene-4-(propan-2-yloxymethyl)cyclohexane
CID 60110992
8-Methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 89099142

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The IUPAC name of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (CID 91184141) is 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.
What is the SMILES notation for 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The canonical SMILES for 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is C=C1CCC2OCCCC2C1.
What is the InChIKey of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The InChIKey is CCASWONLFOYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-4-5-10-9(7-8)3-2-6-11-10/h9-10H,1-7H2.
What are the key properties of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
6-methylidene-2,3,4,4a,5,7,8,8a-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 6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is sourced from PubChem (CID 91184141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).