ethane;2-hexoxy-1,3,5-trimethylbenzene

C17H30O — CID 143283157

IUPACethane;2-hexoxy-1,3,5-trimethylbenzene
SMILESCC.CCCCCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O.C2H6/c1-5-6-7-8-9-16-15-13(3)10-12(2)11-14(15)4;1-2/h10-11H,5-9H2,1-4H3;1-2H3
InChIKeyJHRUVDMPFPXLBO-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.60
Rot. Bonds6

About ethane;2-hexoxy-1,3,5-trimethylbenzene

ethane;2-hexoxy-1,3,5-trimethylbenzene (PubChem CID 143283157) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;2-hexoxy-1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameethane;2-hexoxy-1,3,5-trimethylbenzene
PubChem CID143283157
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Nameethane;2-hexoxy-1,3,5-trimethylbenzene
SMILESCC.CCCCCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O.C2H6/c1-5-6-7-8-9-16-15-13(3)10-12(2)11-14(15)4;1-2/h10-11H,5-9H2,1-4H3;1-2H3
InChIKeyJHRUVDMPFPXLBO-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342
2-decoxy-1,3-dimethylbenzene
CID 83057478
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
4-heptoxy-3,5-dimethylbenzenesulfonic acid
CID 87685895
4-heptadecoxy-3,5-dimethylbenzenesulfonic acid
CID 87685149
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985

Frequently Asked Questions

What is the IUPAC name of ethane;2-hexoxy-1,3,5-trimethylbenzene?
The IUPAC name of ethane;2-hexoxy-1,3,5-trimethylbenzene (CID 143283157) is ethane;2-hexoxy-1,3,5-trimethylbenzene.
What is the SMILES notation for ethane;2-hexoxy-1,3,5-trimethylbenzene?
The canonical SMILES for ethane;2-hexoxy-1,3,5-trimethylbenzene is CC.CCCCCCOc1c(C)cc(C)cc1C.
What is the InChIKey of ethane;2-hexoxy-1,3,5-trimethylbenzene?
The InChIKey is JHRUVDMPFPXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C2H6/c1-5-6-7-8-9-16-15-13(3)10-12(2)11-14(15)4;1-2/h10-11H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;2-hexoxy-1,3,5-trimethylbenzene?
ethane;2-hexoxy-1,3,5-trimethylbenzene has a molecular weight of 250.43 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hexoxy-1,3,5-trimethylbenzene is sourced from PubChem (CID 143283157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).