1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene

C12H14 — CID 156649341

IUPAC1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
SMILESc1ccc2c(c1)CCC1CCC21
InChIInChI=1S/C12H14/c1-2-4-11-9(3-1)5-6-10-7-8-12(10)11/h1-4,10,12H,5-8H2
InChIKeyZYGGZFPRWSZIDT-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.13
Rot. Bonds

About 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene

1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene (PubChem CID 156649341) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene.

Molecular Properties

Compound Name1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
PubChem CID156649341
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
SMILESc1ccc2c(c1)CCC1CCC21
InChIInChI=1S/C12H14/c1-2-4-11-9(3-1)5-6-10-7-8-12(10)11/h1-4,10,12H,5-8H2
InChIKeyZYGGZFPRWSZIDT-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 141032918
1,3,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-2-one
CID 19347400
(3aS,9bS)-2-chloro-1,3,3a,4,5,9b-hexahydrobenzo[e][2]benzalumole
CID 135083025
(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
CID 45260521
(3aR,9bR)-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 10261870
(8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
CID 154088130
1-[4-(4-chlorophenyl)cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 123892030
(3aS,9bS)-2-chloro-1,3,3a,4,5,9b-hexahydrobenzo[e][2]benzalumole;carbon monoxide;chromium
CID 135083024
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578

Frequently Asked Questions

What is the IUPAC name of 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene?
The IUPAC name of 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene (CID 156649341) is 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene.
What is the SMILES notation for 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene?
The canonical SMILES for 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene is c1ccc2c(c1)CCC1CCC21.
What is the InChIKey of 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene?
The InChIKey is ZYGGZFPRWSZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-11-9(3-1)5-6-10-7-8-12(10)11/h1-4,10,12H,5-8H2.
What are the key properties of 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene?
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene is sourced from PubChem (CID 156649341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).