2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene

C14H22O — CID 91128535

IUPAC2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene
SMILESC=C1CCC2OCC3CCCCC3C2C1
InChIInChI=1S/C14H22O/c1-10-6-7-14-13(8-10)12-5-3-2-4-11(12)9-15-14/h11-14H,1-9H2
InChIKeyWGDQBTUBOJKLSE-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.55
Rot. Bonds

About 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene

2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene (PubChem CID 91128535) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene.

Molecular Properties

Compound Name2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene
PubChem CID91128535
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene
SMILESC=C1CCC2OCC3CCCCC3C2C1
InChIInChI=1S/C14H22O/c1-10-6-7-14-13(8-10)12-5-3-2-4-11(12)9-15-14/h11-14H,1-9H2
InChIKeyWGDQBTUBOJKLSE-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.55
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

2-oxatricyclo[5.4.0.04,8]undecane
CID 91210751
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CID 11083994
3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan
CID 67031672
cis-methyl (1R,2S)-2-cyclohexyl-4-methylidenecyclohexane-1-carboxylate
CID 178021701
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
3,6-dimethylidene-4,5,7,7a-tetrahydro-3aH-1-benzofuran
CID 584863
(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 13462494
2-cyclopentyl-3-methylideneoxolane
CID 88988813
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene?
The IUPAC name of 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene (CID 91128535) is 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene.
What is the SMILES notation for 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene?
The canonical SMILES for 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene is C=C1CCC2OCC3CCCCC3C2C1.
What is the InChIKey of 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene?
The InChIKey is WGDQBTUBOJKLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-6-7-14-13(8-10)12-5-3-2-4-11(12)9-15-14/h11-14H,1-9H2.
What are the key properties of 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene?
2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene has a molecular weight of 206.33 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene is sourced from PubChem (CID 91128535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).