ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene

C20H36O — CID 170619939

IUPACethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
SMILESC=CC.CC.CCCCC(CC)COc1ccc(C)cc1
InChIInChI=1S/C15H24O.C3H6.C2H6/c1-4-6-7-14(5-2)12-16-15-10-8-13(3)9-11-15;1-3-2;1-2/h8-11,14H,4-7,12H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyWKZIPTGCDDYGJU-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.81
Rot. Bonds7

About ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene

ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene (PubChem CID 170619939) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene.

Molecular Properties

Compound Nameethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
PubChem CID170619939
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Nameethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
SMILESC=CC.CC.CCCCC(CC)COc1ccc(C)cc1
InChIInChI=1S/C15H24O.C3H6.C2H6/c1-4-6-7-14(5-2)12-16-15-10-8-13(3)9-11-15;1-3-2;1-2/h8-11,14H,4-7,12H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyWKZIPTGCDDYGJU-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
CID 91115860
3,5-bis[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzaldehyde
CID 87321232
2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-7-methyl-9,9-dipropylfluorene
CID 58012931
1-[(2R)-2-butyloctoxy]-4-[4-[4-[4-[(2S)-2-butyloctoxy]phenyl]phenyl]phenyl]benzene
CID 97290699
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
2,3-bis[4-(2-ethylhexoxy)phenyl]-5,7-dimethylthieno[3,4-b]pyrazine
CID 102046385
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene?
The IUPAC name of ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene (CID 170619939) is ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene.
What is the SMILES notation for ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene?
The canonical SMILES for ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene is C=CC.CC.CCCCC(CC)COc1ccc(C)cc1.
What is the InChIKey of ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene?
The InChIKey is WKZIPTGCDDYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C3H6.C2H6/c1-4-6-7-14(5-2)12-16-15-10-8-13(3)9-11-15;1-3-2;1-2/h8-11,14H,4-7,12H2,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene?
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene has a molecular weight of 292.51 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene is sourced from PubChem (CID 170619939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).