(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene

C10H16O — CID 131846407

IUPAC(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESC=C1CO[C@H]2CCCC[C@@H]2C1
InChIInChI=1S/C10H16O/c1-8-6-9-4-2-3-5-10(9)11-7-8/h9-10H,1-7H2/t9-,10+/m1/s1
InChIKeyVRCUASHSPVJDQE-ZJUUUORDSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene

(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene (PubChem CID 131846407) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene.

Molecular Properties

Compound Name(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
PubChem CID131846407
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESC=C1CO[C@H]2CCCC[C@@H]2C1
InChIInChI=1S/C10H16O/c1-8-6-9-4-2-3-5-10(9)11-7-8/h9-10H,1-7H2/t9-,10+/m1/s1
InChIKeyVRCUASHSPVJDQE-ZJUUUORDSA-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 (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene 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

6-ethenyl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 3108045
Herbal undecanol
CID 14437951
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
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
(2S,6R)-2-cyclohexyl-6-ethenyloxane
CID 24795949
(2R,4aS,8aR)-2-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 101840402
2-Cyclohexyl-4-methyl-5-methylideneoxane
CID 134966506
3-(Cyclohexylmethyl)but-3-en-2-yloxycyclohexane
CID 176427913

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The IUPAC name of (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene (CID 131846407) is (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene.
What is the SMILES notation for (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The canonical SMILES for (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene is C=C1CO[C@H]2CCCC[C@@H]2C1.
What is the InChIKey of (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The InChIKey is VRCUASHSPVJDQE-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O/c1-8-6-9-4-2-3-5-10(9)11-7-8/h9-10H,1-7H2/t9-,10+/m1/s1.
What are the key properties of (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene?
(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene 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 (4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene is sourced from PubChem (CID 131846407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).