6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene

C22H30 — CID 155763587

IUPAC6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene
SMILESCC1c2cc3c(cc2C2CCCCC12)C(C)C1CCCCC31
InChIInChI=1S/C22H30/c1-13-15-7-3-5-9-17(15)21-12-20-14(2)16-8-4-6-10-18(16)22(20)11-19(13)21/h11-18H,3-10H2,1-2H3
InChIKeyZYIHXPXJFKIURO-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.47
Rot. Bonds

About 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene

6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene (PubChem CID 155763587) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene
PubChem CID155763587
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene
SMILESCC1c2cc3c(cc2C2CCCCC12)C(C)C1CCCCC31
InChIInChI=1S/C22H30/c1-13-15-7-3-5-9-17(15)21-12-20-14(2)16-8-4-6-10-18(16)22(20)11-19(13)21/h11-18H,3-10H2,1-2H3
InChIKeyZYIHXPXJFKIURO-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene with MolForge

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Related Compounds

1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol
CID 155763584
9-methylbicyclo[5.2.0]nonan-8-one
CID 12721699
(3aR,9S,9aS)-9-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]naphthalen-4-one
CID 10679542
(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 131041871
5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol
CID 124645673
1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene
CID 124645669
(5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene
CID 143323328
[(4aR,9S,10S,10aS)-6-methoxy-10-(4-methoxyphenyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-yl]methanol
CID 59504470
(4aR,9R,10S,10aS)-6-methoxy-9-(methoxymethyl)-10-(4-methoxyphenyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 59504330
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202

Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene?
The IUPAC name of 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene (CID 155763587) is 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene.
What is the SMILES notation for 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene?
The canonical SMILES for 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene is CC1c2cc3c(cc2C2CCCCC12)C(C)C1CCCCC31.
What is the InChIKey of 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene?
The InChIKey is ZYIHXPXJFKIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-13-15-7-3-5-9-17(15)21-12-20-14(2)16-8-4-6-10-18(16)22(20)11-19(13)21/h11-18H,3-10H2,1-2H3.
What are the key properties of 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene?
6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene has a molecular weight of 294.48 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene is sourced from PubChem (CID 155763587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).