ethane;2-hexylnaphthalene

C18H26 — CID 142191207

IUPACethane;2-hexylnaphthalene
SMILESCC.CCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C16H20.C2H6/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14;1-2/h6-7,9-13H,2-5,8H2,1H3;1-2H3
InChIKeyIFHVMHQRZXHSIY-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.99
Rot. Bonds5

About ethane;2-hexylnaphthalene

ethane;2-hexylnaphthalene (PubChem CID 142191207) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;2-hexylnaphthalene.

Molecular Properties

Compound Nameethane;2-hexylnaphthalene
PubChem CID142191207
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameethane;2-hexylnaphthalene
SMILESCC.CCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C16H20.C2H6/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14;1-2/h6-7,9-13H,2-5,8H2,1H3;1-2H3
InChIKeyIFHVMHQRZXHSIY-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.99
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

2-octylanthracene
CID 23131226
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-pentylnaphthalene;prop-1-ene
CID 173098363
2-[(E)-docos-17-enyl]naphthalene
CID 101307791
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
6,13-dibromo-2-tetracosylpentacene
CID 162372248
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379

Frequently Asked Questions

What is the IUPAC name of ethane;2-hexylnaphthalene?
The IUPAC name of ethane;2-hexylnaphthalene (CID 142191207) is ethane;2-hexylnaphthalene.
What is the SMILES notation for ethane;2-hexylnaphthalene?
The canonical SMILES for ethane;2-hexylnaphthalene is CC.CCCCCCc1ccc2ccccc2c1.
What is the InChIKey of ethane;2-hexylnaphthalene?
The InChIKey is IFHVMHQRZXHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C2H6/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14;1-2/h6-7,9-13H,2-5,8H2,1H3;1-2H3.
What are the key properties of ethane;2-hexylnaphthalene?
ethane;2-hexylnaphthalene has a molecular weight of 242.41 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hexylnaphthalene is sourced from PubChem (CID 142191207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).