1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene

C17H26O — CID 172769855

IUPAC1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene
SMILESCCc1ccc(C=CCCCCOC(C)C)cc1
InChIInChI=1S/C17H26O/c1-4-16-10-12-17(13-11-16)9-7-5-6-8-14-18-15(2)3/h7,9-13,15H,4-6,8,14H2,1-3H3
InChIKeyMURUJVOMXMHMFW-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.86
Rot. Bonds8

About 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene

1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene (PubChem CID 172769855) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene
PubChem CID172769855
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene
SMILESCCc1ccc(C=CCCCCOC(C)C)cc1
InChIInChI=1S/C17H26O/c1-4-16-10-12-17(13-11-16)9-7-5-6-8-14-18-15(2)3/h7,9-13,15H,4-6,8,14H2,1-3H3
InChIKeyMURUJVOMXMHMFW-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.86
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

4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79592990
1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
CID 22991130
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1-decyl-4-hept-1-enylbenzene
CID 173045869
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
CID 140835221
2-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylnaphthalene
CID 70264514
2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene
CID 70265220
4-(4-ethylphenyl)but-3-enenitrile
CID 170799212
1-(6-pentoxyhept-1-enyl)-4-[4-(4-prop-2-enoxyphenyl)phenyl]benzene
CID 70263182
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene?
The IUPAC name of 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene (CID 172769855) is 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene.
What is the SMILES notation for 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene?
The canonical SMILES for 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene is CCc1ccc(C=CCCCCOC(C)C)cc1.
What is the InChIKey of 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene?
The InChIKey is MURUJVOMXMHMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-16-10-12-17(13-11-16)9-7-5-6-8-14-18-15(2)3/h7,9-13,15H,4-6,8,14H2,1-3H3.
What are the key properties of 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene?
1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene has a molecular weight of 246.39 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(6-propan-2-yloxyhex-1-enyl)benzene is sourced from PubChem (CID 172769855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).