ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene

C29H62 — CID 90869503

IUPACethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene
SMILESCC.CC.CC.CC.CCCC1CCCCC1C1CC2CCC(C)(C)C(C)C2C1
InChIInChI=1S/C21H38.4C2H6/c1-5-8-16-9-6-7-10-19(16)18-13-17-11-12-21(3,4)15(2)20(17)14-18;4*1-2/h15-20H,5-14H2,1-4H3;4*1-2H3
InChIKeyYLTBEWRLIKNERM-UHFFFAOYSA-N
MW410.82 g/mol
LogP10.80
Rot. Bonds3

About ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene

ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene (PubChem CID 90869503) has the molecular formula C29H62 and a molecular weight of 410.82 g/mol. Its IUPAC name is ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene.

Molecular Properties

Compound Nameethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene
PubChem CID90869503
Molecular FormulaC29H62
Molecular Weight410.82 g/mol
Exact Mass410.49
IUPAC Nameethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene
SMILESCC.CC.CC.CC.CCCC1CCCCC1C1CC2CCC(C)(C)C(C)C2C1
InChIInChI=1S/C21H38.4C2H6/c1-5-8-16-9-6-7-10-19(16)18-13-17-11-12-21(3,4)15(2)20(17)14-18;4*1-2/h15-20H,5-14H2,1-4H3;4*1-2H3
InChIKeyYLTBEWRLIKNERM-UHFFFAOYSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.82
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene with MolForge

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Related Compounds

1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
ethene;1,1,2-trimethyl-3-propylcyclopentane
CID 145109296
1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
CID 173085935
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
ethane;9-[2-(3-ethyl-2-methyl-1a,2,3,3a,4,5,6,7,7a,7b-decahydro-1H-cyclopropa[a]naphthalen-5-yl)cyclopentyl]-10-[4-(2-propylcyclopentyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 144658943
ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
CID 176966698
1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085741
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
1,1,2-trimethyl-3-[3-(7-methylundecan-2-yl)cyclobutyl]cyclopentane
CID 123395690
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312

Frequently Asked Questions

What is the IUPAC name of ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene?
The IUPAC name of ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene (CID 90869503) is ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene.
What is the SMILES notation for ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene?
The canonical SMILES for ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene is CC.CC.CC.CC.CCCC1CCCCC1C1CC2CCC(C)(C)C(C)C2C1.
What is the InChIKey of ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene?
The InChIKey is YLTBEWRLIKNERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38.4C2H6/c1-5-8-16-9-6-7-10-19(16)18-13-17-11-12-21(3,4)15(2)20(17)14-18;4*1-2/h15-20H,5-14H2,1-4H3;4*1-2H3.
What are the key properties of ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene?
ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene has a molecular weight of 410.82 g/mol, XLogP of 10.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene is sourced from PubChem (CID 90869503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).