2-ethyl-1-[(E)-hex-1-enyl]naphthalene

C18H22 — CID 166460669

IUPAC2-ethyl-1-[(E)-hex-1-enyl]naphthalene
SMILESCCCC/C=C/c1c(CC)ccc2ccccc12
InChIInChI=1S/C18H22/c1-3-5-6-7-11-17-15(4-2)13-14-16-10-8-9-12-18(16)17/h7-14H,3-6H2,1-2H3/b11-7+
InChIKeyGWUHMDFXCQIQOW-YRNVUSSQSA-N
MW238.37 g/mol
LogP5.61
Rot. Bonds5

About 2-ethyl-1-[(E)-hex-1-enyl]naphthalene

2-ethyl-1-[(E)-hex-1-enyl]naphthalene (PubChem CID 166460669) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-ethyl-1-[(E)-hex-1-enyl]naphthalene.

Molecular Properties

Compound Name2-ethyl-1-[(E)-hex-1-enyl]naphthalene
PubChem CID166460669
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name2-ethyl-1-[(E)-hex-1-enyl]naphthalene
SMILESCCCC/C=C/c1c(CC)ccc2ccccc12
InChIInChI=1S/C18H22/c1-3-5-6-7-11-17-15(4-2)13-14-16-10-8-9-12-18(16)17/h7-14H,3-6H2,1-2H3/b11-7+
InChIKeyGWUHMDFXCQIQOW-YRNVUSSQSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
9-pent-1-enylanthracene
CID 173045692
3-hex-1-enyl-2,4-dimethylquinoline
CID 70124767
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-undec-6-enyl]naphthalene
CID 101304389
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
1-[(E)-octadec-13-enyl]naphthalene
CID 101307634
CID 69106852
CID 69106852
heptane;phenanthrene
CID 157482146
1-(4-bromobut-1-enyl)-2-methylnaphthalene
CID 170498133
CID 173411630
CID 173411630

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(E)-hex-1-enyl]naphthalene?
The IUPAC name of 2-ethyl-1-[(E)-hex-1-enyl]naphthalene (CID 166460669) is 2-ethyl-1-[(E)-hex-1-enyl]naphthalene.
What is the SMILES notation for 2-ethyl-1-[(E)-hex-1-enyl]naphthalene?
The canonical SMILES for 2-ethyl-1-[(E)-hex-1-enyl]naphthalene is CCCC/C=C/c1c(CC)ccc2ccccc12.
What is the InChIKey of 2-ethyl-1-[(E)-hex-1-enyl]naphthalene?
The InChIKey is GWUHMDFXCQIQOW-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H22/c1-3-5-6-7-11-17-15(4-2)13-14-16-10-8-9-12-18(16)17/h7-14H,3-6H2,1-2H3/b11-7+.
What are the key properties of 2-ethyl-1-[(E)-hex-1-enyl]naphthalene?
2-ethyl-1-[(E)-hex-1-enyl]naphthalene has a molecular weight of 238.37 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(E)-hex-1-enyl]naphthalene is sourced from PubChem (CID 166460669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).