ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane

C17H38 — CID 143713458

IUPACethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
SMILESC=C.CCC.CCCC(C)(CC)C[C@@H](C)CC
InChIInChI=1S/C12H26.C3H8.C2H4/c1-6-9-12(5,8-3)10-11(4)7-2;1-3-2;1-2/h11H,6-10H2,1-5H3;3H2,1-2H3;1-2H2/t11-,12?;;/m0../s1
InChIKeyJMJPOCYLOUAQKB-VWTXCZJDSA-N
MW242.49 g/mol
LogP6.86
Rot. Bonds6

About ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane

ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane (PubChem CID 143713458) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane.

Molecular Properties

Compound Nameethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
PubChem CID143713458
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Nameethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
SMILESC=C.CCC.CCCC(C)(CC)C[C@@H](C)CC
InChIInChI=1S/C12H26.C3H8.C2H4/c1-6-9-12(5,8-3)10-11(4)7-2;1-3-2;1-2/h11H,6-10H2,1-5H3;3H2,1-2H3;1-2H2/t11-,12?;;/m0../s1
InChIKeyJMJPOCYLOUAQKB-VWTXCZJDSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,4,6,6,8-Heptamethylnonane
CID 27137
2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
CID 137802
2,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane
CID 41453
Octadecane, 9-ethyl-9-heptyl-
CID 298664
Undecane, 5-ethyl-5-propyl-
CID 520323
3-Ethyl-3-methylheptadecane
CID 11536486
5-Ethyl-5-methylnonadecane
CID 53839399
5,5-Diethyltridecane
CID 85977273
10-Ethyl-2,6,10,13,17,21-hexamethyl-docosane
CID 14432021
8-Hexyl-8-pentylhexadecane
CID 521602
2,2,4,7,9,9-Hexamethyldecane
CID 19101447

Frequently Asked Questions

What is the IUPAC name of ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane?
The IUPAC name of ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane (CID 143713458) is ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane.
What is the SMILES notation for ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane?
The canonical SMILES for ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane is C=C.CCC.CCCC(C)(CC)C[C@@H](C)CC.
What is the InChIKey of ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane?
The InChIKey is JMJPOCYLOUAQKB-VWTXCZJDSA-N. The full InChI is InChI=1S/C12H26.C3H8.C2H4/c1-6-9-12(5,8-3)10-11(4)7-2;1-3-2;1-2/h11H,6-10H2,1-5H3;3H2,1-2H3;1-2H2/t11-,12?;;/m0../s1.
What are the key properties of ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane?
ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane has a molecular weight of 242.49 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane is sourced from PubChem (CID 143713458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).