1,2,3,3a,6,7,8,8b-octahydro-as-indacene

C12H16 — CID 140735551

IUPAC1,2,3,3a,6,7,8,8b-octahydro-as-indacene
SMILESC1=CC2CCCC2C2=C1CCC2
InChIInChI=1S/C12H16/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h7-9,11H,1-6H2
InChIKeyVTZWCEUZCICCLS-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.45
Rot. Bonds

About 1,2,3,3a,6,7,8,8b-octahydro-as-indacene

1,2,3,3a,6,7,8,8b-octahydro-as-indacene (PubChem CID 140735551) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,2,3,3a,6,7,8,8b-octahydro-as-indacene.

Molecular Properties

Compound Name1,2,3,3a,6,7,8,8b-octahydro-as-indacene
PubChem CID140735551
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1,2,3,3a,6,7,8,8b-octahydro-as-indacene
SMILESC1=CC2CCCC2C2=C1CCC2
InChIInChI=1S/C12H16/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h7-9,11H,1-6H2
InChIKeyVTZWCEUZCICCLS-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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lithium;hydride;4,5,6,7-tetrahydro-1H-inden-1-ylsilane
CID 173341675
carbanide;1-[2-[(1R)-4,5,6,7-tetrahydro-1H-inden-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indene;titanium(2+)
CID 22831435
methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
CID 175591795
2-dimethylsilylidene-1,1-bis(4,5,6,7-tetrahydro-1H-inden-1-yl)ethanol
CID 19033178
[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol
CID 24756745
1-chloro-4,5,6,7-tetrahydro-1H-indene;ethanol;titanium
CID 88524321
10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene
CID 59819079
(6aS,12aS)-3,4,6a,7,8,9,10,11,12,12a-decahydro-2H-octalen-1-one
CID 92524029
4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
CID 87376967
[dimethyl(4,5,6,7-tetrahydro-1H-inden-1-yl)silyl]-dimethyl-(4,5,6,7-tetrahydro-2H-inden-1-yl)silane
CID 57002022

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,6,7,8,8b-octahydro-as-indacene?
The IUPAC name of 1,2,3,3a,6,7,8,8b-octahydro-as-indacene (CID 140735551) is 1,2,3,3a,6,7,8,8b-octahydro-as-indacene.
What is the SMILES notation for 1,2,3,3a,6,7,8,8b-octahydro-as-indacene?
The canonical SMILES for 1,2,3,3a,6,7,8,8b-octahydro-as-indacene is C1=CC2CCCC2C2=C1CCC2.
What is the InChIKey of 1,2,3,3a,6,7,8,8b-octahydro-as-indacene?
The InChIKey is VTZWCEUZCICCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h7-9,11H,1-6H2.
What are the key properties of 1,2,3,3a,6,7,8,8b-octahydro-as-indacene?
1,2,3,3a,6,7,8,8b-octahydro-as-indacene has a molecular weight of 160.26 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,6,7,8,8b-octahydro-as-indacene is sourced from PubChem (CID 140735551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).