1-butylnaphthalene;ethane

C16H22 — CID 142087052

IUPAC1-butylnaphthalene;ethane
SMILESCC.CCCCc1cccc2ccccc12
InChIInChI=1S/C14H16.C2H6/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13;1-2/h4-6,8-11H,2-3,7H2,1H3;1-2H3
InChIKeyQYZBFZWJHRHFAD-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.21
Rot. Bonds3

About 1-butylnaphthalene;ethane

1-butylnaphthalene;ethane (PubChem CID 142087052) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-butylnaphthalene;ethane.

Molecular Properties

Compound Name1-butylnaphthalene;ethane
PubChem CID142087052
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-butylnaphthalene;ethane
SMILESCC.CCCCc1cccc2ccccc12
InChIInChI=1S/C14H16.C2H6/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13;1-2/h4-6,8-11H,2-3,7H2,1H3;1-2H3
InChIKeyQYZBFZWJHRHFAD-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
potassium;hydride;1-octylnaphthalene
CID 173443599
1-pentylnaphthalene;sulfuric acid
CID 172842201
methanamine;1-propylnaphthalene
CID 174438724
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
1-[(E)-henicos-4-enyl]naphthalene
CID 101307724
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
1-[(E)-undec-6-enyl]naphthalene
CID 101304389
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533

Frequently Asked Questions

What is the IUPAC name of 1-butylnaphthalene;ethane?
The IUPAC name of 1-butylnaphthalene;ethane (CID 142087052) is 1-butylnaphthalene;ethane.
What is the SMILES notation for 1-butylnaphthalene;ethane?
The canonical SMILES for 1-butylnaphthalene;ethane is CC.CCCCc1cccc2ccccc12.
What is the InChIKey of 1-butylnaphthalene;ethane?
The InChIKey is QYZBFZWJHRHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C2H6/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13;1-2/h4-6,8-11H,2-3,7H2,1H3;1-2H3.
What are the key properties of 1-butylnaphthalene;ethane?
1-butylnaphthalene;ethane has a molecular weight of 214.35 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylnaphthalene;ethane is sourced from PubChem (CID 142087052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).