8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene

C16H22 — CID 58257789

IUPAC8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
SMILESCC(C)c1ccc2c(c1)C1CCCC1CC2
InChIInChI=1S/C16H22/c1-11(2)14-9-8-13-7-6-12-4-3-5-15(12)16(13)10-14/h8-12,15H,3-7H2,1-2H3
InChIKeyFKWXDRHKGFERLX-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.64
Rot. Bonds1

About 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene

8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene (PubChem CID 58257789) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
PubChem CID58257789
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
SMILESCC(C)c1ccc2c(c1)C1CCCC1CC2
InChIInChI=1S/C16H22/c1-11(2)14-9-8-13-7-6-12-4-3-5-15(12)16(13)10-14/h8-12,15H,3-7H2,1-2H3
InChIKeyFKWXDRHKGFERLX-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
5-chloro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514784
2-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 82076845
(3R)-3-cyclobutyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004848
(2R)-1-methyl-2-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102540
2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84632412
2-chloro-1-(1-cyclohexyl-7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 67538427
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 83827545
(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
(2S)-6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55272655
6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 142456783
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene (CID 58257789) is 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene is CC(C)c1ccc2c(c1)C1CCCC1CC2.
What is the InChIKey of 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is FKWXDRHKGFERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11(2)14-9-8-13-7-6-12-4-3-5-15(12)16(13)10-14/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 214.35 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 58257789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).