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

C51H90 — CID 144658943

IUPACethane;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
SMILESCC.CC.CCCC1CCCC1C1CCC(C2C3CCCCC3C(C3CCCC3C3CCC4C(C3)C(CC)C(C)C3CC34)C3CCCCC32)CC1
InChIInChI=1S/C47H78.2C2H6/c1-4-12-30-13-10-18-35(30)31-21-23-32(24-22-31)46-39-14-6-8-16-41(39)47(42-17-9-7-15-40(42)46)38-20-11-19-36(38)33-25-26-37-44(27-33)34(5-2)29(3)43-28-45(37)43;2*1-2/h29-47H,4-28H2,1-3H3;2*1-2H3
InChIKeyBKPLZMGOBCTKQQ-UHFFFAOYSA-N
MW703.28 g/mol
LogP15.68
Rot. Bonds7

About 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

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 (PubChem CID 144658943) has the molecular formula C51H90 and a molecular weight of 703.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID144658943
Molecular FormulaC51H90
Molecular Weight703.28 g/mol
Exact Mass702.70
IUPAC Nameethane;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
SMILESCC.CC.CCCC1CCCC1C1CCC(C2C3CCCCC3C(C3CCCC3C3CCC4C(C3)C(CC)C(C)C3CC34)C3CCCCC32)CC1
InChIInChI=1S/C47H78.2C2H6/c1-4-12-30-13-10-18-35(30)31-21-23-32(24-22-31)46-39-14-6-8-16-41(39)47(42-17-9-7-15-40(42)46)38-20-11-19-36(38)33-25-26-37-44(27-33)34(5-2)29(3)43-28-45(37)43;2*1-2/h29-47H,4-28H2,1-3H3;2*1-2H3
InChIKeyBKPLZMGOBCTKQQ-UHFFFAOYSA-N
XLogP15.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.28
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
1-[2-[[(1R)-2-ethyl-3-propylcyclopentyl]methyl]cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 142245917
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
1-ethyl-2,3,4-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162289049
ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91264687
9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-10-[6-(1,2,3,4,4a,4b,5,6,7,8,8a,8b-dodecahydrobiphenylen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 144809758
ethane;6,6,7-trimethyl-2-(2-propylcyclohexyl)-1,2,3,3a,4,5,7,7a-octahydroindene
CID 90869503
ethane;3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 143732334
10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane
CID 162269085
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CCCC1CCCC1C1CCC(C2C3CCCCC3C(C3CCCC3C3CCC4C(C3)C(CC)C(C)C3CC34)C3CCCCC32)CC1.
What is the InChIKey of 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?
The InChIKey is BKPLZMGOBCTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H78.2C2H6/c1-4-12-30-13-10-18-35(30)31-21-23-32(24-22-31)46-39-14-6-8-16-41(39)47(42-17-9-7-15-40(42)46)38-20-11-19-36(38)33-25-26-37-44(27-33)34(5-2)29(3)43-28-45(37)43;2*1-2/h29-47H,4-28H2,1-3H3;2*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 703.28 g/mol, XLogP of 15.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144658943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).