1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene

C34H54O2 — CID 159343707

IUPAC1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene
SMILESC=CCCCC.C=CCc1ccccc1OC.CCCCC(C)CC(CC)Cc1ccccc1OC
InChIInChI=1S/C18H30O.C10H12O.C6H12/c1-5-7-10-15(3)13-16(6-2)14-17-11-8-9-12-18(17)19-4;1-3-6-9-7-4-5-8-10(9)11-2;1-3-5-6-4-2/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3;3-5,7-8H,1,6H2,2H3;3H,1,4-6H2,2H3
InChIKeyLGLKOLQFDVTUSE-UHFFFAOYSA-N
MW494.80 g/mol
LogP10.27
Rot. Bonds15

About 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene

1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene (PubChem CID 159343707) has the molecular formula C34H54O2 and a molecular weight of 494.80 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene
PubChem CID159343707
Molecular FormulaC34H54O2
Molecular Weight494.80 g/mol
Exact Mass494.41
IUPAC Name1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene
SMILESC=CCCCC.C=CCc1ccccc1OC.CCCCC(C)CC(CC)Cc1ccccc1OC
InChIInChI=1S/C18H30O.C10H12O.C6H12/c1-5-7-10-15(3)13-16(6-2)14-17-11-8-9-12-18(17)19-4;1-3-6-9-7-4-5-8-10(9)11-2;1-3-5-6-4-2/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3;3-5,7-8H,1,6H2,2H3;3H,1,4-6H2,2H3
InChIKeyLGLKOLQFDVTUSE-UHFFFAOYSA-N
XLogP10.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.80
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 160728606
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CID 160716483
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine
CID 150211200
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
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CID 63544392
2-[(2-methoxyphenyl)methyl]undecan-1-amine
CID 63497601
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
1-[2-(chloromethyl)pentyl]-2-methoxybenzene
CID 66034984
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
2-butoxy-1-methoxy-3-prop-2-enylbenzene
CID 24770490
[1-(2-methoxyphenyl)-4-methylheptan-2-yl]hydrazine
CID 105205005

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene?
The IUPAC name of 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene (CID 159343707) is 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene is C=CCCCC.C=CCc1ccccc1OC.CCCCC(C)CC(CC)Cc1ccccc1OC.
What is the InChIKey of 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene?
The InChIKey is LGLKOLQFDVTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O.C10H12O.C6H12/c1-5-7-10-15(3)13-16(6-2)14-17-11-8-9-12-18(17)19-4;1-3-6-9-7-4-5-8-10(9)11-2;1-3-5-6-4-2/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3;3-5,7-8H,1,6H2,2H3;3H,1,4-6H2,2H3.
What are the key properties of 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene?
1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene has a molecular weight of 494.80 g/mol, XLogP of 10.27, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 159343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).