ethane;(1-ethyl-5-phenylhexyl)benzene

C22H32 — CID 154659485

IUPACethane;(1-ethyl-5-phenylhexyl)benzene
SMILESCC.CCC(CCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26.C2H6/c1-3-18(20-14-8-5-9-15-20)16-10-11-17(2)19-12-6-4-7-13-19;1-2/h4-9,12-15,17-18H,3,10-11,16H2,1-2H3;1-2H3
InChIKeyKSRFWBHJUCPJCE-UHFFFAOYSA-N
MW296.50 g/mol
LogP7.18
Rot. Bonds7

About ethane;(1-ethyl-5-phenylhexyl)benzene

ethane;(1-ethyl-5-phenylhexyl)benzene (PubChem CID 154659485) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is ethane;(1-ethyl-5-phenylhexyl)benzene.

Molecular Properties

Compound Nameethane;(1-ethyl-5-phenylhexyl)benzene
PubChem CID154659485
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Nameethane;(1-ethyl-5-phenylhexyl)benzene
SMILESCC.CCC(CCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26.C2H6/c1-3-18(20-14-8-5-9-15-20)16-10-11-17(2)19-12-6-4-7-13-19;1-2/h4-9,12-15,17-18H,3,10-11,16H2,1-2H3;1-2H3
InChIKeyKSRFWBHJUCPJCE-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-ethyl-9-phenyldecyl)benzene
CID 154659486
4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 23550616
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420
2-(6-phenyloctan-2-yl)pyridine
CID 122575770
heptan-3-ylbenzene;methane
CID 159006232
octan-3-ylbenzene
CID 519547
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
pentan-2-ylbenzene
CID 17627
5-phenylheptan-2-amine
CID 83936540
5-phenylheptanal
CID 22053894
4-N-[4-[5-(4-benzhydrylphenyl)heptan-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58782689
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
CID 58843288

Frequently Asked Questions

What is the IUPAC name of ethane;(1-ethyl-5-phenylhexyl)benzene?
The IUPAC name of ethane;(1-ethyl-5-phenylhexyl)benzene (CID 154659485) is ethane;(1-ethyl-5-phenylhexyl)benzene.
What is the SMILES notation for ethane;(1-ethyl-5-phenylhexyl)benzene?
The canonical SMILES for ethane;(1-ethyl-5-phenylhexyl)benzene is CC.CCC(CCCC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;(1-ethyl-5-phenylhexyl)benzene?
The InChIKey is KSRFWBHJUCPJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.C2H6/c1-3-18(20-14-8-5-9-15-20)16-10-11-17(2)19-12-6-4-7-13-19;1-2/h4-9,12-15,17-18H,3,10-11,16H2,1-2H3;1-2H3.
What are the key properties of ethane;(1-ethyl-5-phenylhexyl)benzene?
ethane;(1-ethyl-5-phenylhexyl)benzene has a molecular weight of 296.50 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-ethyl-5-phenylhexyl)benzene is sourced from PubChem (CID 154659485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).