1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C23H40 — CID 15920170

IUPAC1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(CC1CCC2CCCCC2C1)C1CCCC2CCCCC21
InChIInChI=1S/C23H40/c1-17(22-12-6-10-20-8-4-5-11-23(20)22)15-18-13-14-19-7-2-3-9-21(19)16-18/h17-23H,2-16H2,1H3
InChIKeyQVAUTMOUCUQMFX-UHFFFAOYSA-N
MW316.57 g/mol
LogP7.23
Rot. Bonds3

About 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 15920170) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID15920170
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC(CC1CCC2CCCCC2C1)C1CCCC2CCCCC21
InChIInChI=1S/C23H40/c1-17(22-12-6-10-20-8-4-5-11-23(20)22)15-18-13-14-19-7-2-3-9-21(19)16-18/h17-23H,2-16H2,1H3
InChIKeyQVAUTMOUCUQMFX-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

1-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-2-yl]aziridine;ethane
CID 168896176
(3S)-3-[[(8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]pentan-2-amine
CID 71228058
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanethiol
CID 166754700
2-[(2S)-1-cyclobutylpropan-2-yl]cyclopropan-1-ol
CID 89335033
3-(7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 140513988
(3-ethylcyclopentyl)cyclohexane
CID 142208206
(2S)-1-[3-[3-(3-cyclobutylcyclopentyl)cyclopentyl]cyclopentyl]-3-[3-[3-(4-methylcyclohexyl)cyclobutyl]cyclopentyl]propan-2-amine
CID 130424425
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3,5-dimethylhexan-2-yl]-7-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;sulfane
CID 159049660
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene
CID 140773166

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 15920170) is 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC(CC1CCC2CCCCC2C1)C1CCCC2CCCCC21.
What is the InChIKey of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is QVAUTMOUCUQMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40/c1-17(22-12-6-10-20-8-4-5-11-23(20)22)15-18-13-14-19-7-2-3-9-21(19)16-18/h17-23H,2-16H2,1H3.
What are the key properties of 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 316.57 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 15920170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).