ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane

C29H62 — CID 142386775

IUPACethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane
SMILESCC.CCC(C)CC[C@H](CC)CC(C)C(C)C.CCCC1(C)CC(C)C(CC)C1
InChIInChI=1S/C15H32.C12H24.C2H6/c1-7-13(5)9-10-15(8-2)11-14(6)12(3)4;1-5-7-12(4)8-10(3)11(6-2)9-12;1-2/h12-15H,7-11H2,1-6H3;10-11H,5-9H2,1-4H3;1-2H3/t13?,14?,15-;;/m0../s1
InChIKeyXUEJTGJCTVHHEY-WLVQHHMXSA-N
MW410.82 g/mol
LogP10.80
Rot. Bonds11

About ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane

ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane (PubChem CID 142386775) has the molecular formula C29H62 and a molecular weight of 410.82 g/mol. Its IUPAC name is ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane.

Molecular Properties

Compound Nameethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane
PubChem CID142386775
Molecular FormulaC29H62
Molecular Weight410.82 g/mol
Exact Mass410.49
IUPAC Nameethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane
SMILESCC.CCC(C)CC[C@H](CC)CC(C)C(C)C.CCCC1(C)CC(C)C(CC)C1
InChIInChI=1S/C15H32.C12H24.C2H6/c1-7-13(5)9-10-15(8-2)11-14(6)12(3)4;1-5-7-12(4)8-10(3)11(6-2)9-12;1-2/h12-15H,7-11H2,1-6H3;10-11H,5-9H2,1-4H3;1-2H3/t13?,14?,15-;;/m0../s1
InChIKeyXUEJTGJCTVHHEY-WLVQHHMXSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane?
The IUPAC name of ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane (CID 142386775) is ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane.
What is the SMILES notation for ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane?
The canonical SMILES for ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane is CC.CCC(C)CC[C@H](CC)CC(C)C(C)C.CCCC1(C)CC(C)C(CC)C1.
What is the InChIKey of ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane?
The InChIKey is XUEJTGJCTVHHEY-WLVQHHMXSA-N. The full InChI is InChI=1S/C15H32.C12H24.C2H6/c1-7-13(5)9-10-15(8-2)11-14(6)12(3)4;1-5-7-12(4)8-10(3)11(6-2)9-12;1-2/h12-15H,7-11H2,1-6H3;10-11H,5-9H2,1-4H3;1-2H3/t13?,14?,15-;;/m0../s1.
What are the key properties of ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane?
ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane has a molecular weight of 410.82 g/mol, XLogP of 10.80, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1,4-dimethyl-1-propylcyclopentane;(5S)-5-ethyl-2,3,8-trimethyldecane is sourced from PubChem (CID 142386775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).