2,6-bis(3-ethylheptyl)naphthalene

C28H44 — CID 91473805

IUPAC2,6-bis(3-ethylheptyl)naphthalene
SMILESCCCCC(CC)CCc1ccc2cc(CCC(CC)CCCC)ccc2c1
InChIInChI=1S/C28H44/c1-5-9-11-23(7-3)13-15-25-17-19-28-22-26(18-20-27(28)21-25)16-14-24(8-4)12-10-6-2/h17-24H,5-16H2,1-4H3
InChIKeyUEWZCZFKUNKRTG-UHFFFAOYSA-N
MW380.66 g/mol
LogP9.14
Rot. Bonds14

About 2,6-bis(3-ethylheptyl)naphthalene

2,6-bis(3-ethylheptyl)naphthalene (PubChem CID 91473805) has the molecular formula C28H44 and a molecular weight of 380.66 g/mol. Its IUPAC name is 2,6-bis(3-ethylheptyl)naphthalene.

Molecular Properties

Compound Name2,6-bis(3-ethylheptyl)naphthalene
PubChem CID91473805
Molecular FormulaC28H44
Molecular Weight380.66 g/mol
Exact Mass380.34
IUPAC Name2,6-bis(3-ethylheptyl)naphthalene
SMILESCCCCC(CC)CCc1ccc2cc(CCC(CC)CCCC)ccc2c1
InChIInChI=1S/C28H44/c1-5-9-11-23(7-3)13-15-25-17-19-28-22-26(18-20-27(28)21-25)16-14-24(8-4)12-10-6-2/h17-24H,5-16H2,1-4H3
InChIKeyUEWZCZFKUNKRTG-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-6-propylnaphthalene
CID 58232616
4-ethyl-1-naphthalen-2-yloctan-2-ol
CID 105080592
3-ethylundecylbenzene
CID 101046196
2-butyl-6-propylnaphthalene;propane
CID 123540121
7-(2-ethylhexyl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 135189979
(4-bromophenyl)-[4-(3-ethylheptyl)-2-fluorophenyl]diazene
CID 146454483
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
CID 145203938
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
1-(6-ethyloctyl)-4-octylbenzene
CID 142518839
4,9-bis[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 167359500
3,4-bis(3-ethylheptyl)thiophene
CID 134458192

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-ethylheptyl)naphthalene?
The IUPAC name of 2,6-bis(3-ethylheptyl)naphthalene (CID 91473805) is 2,6-bis(3-ethylheptyl)naphthalene.
What is the SMILES notation for 2,6-bis(3-ethylheptyl)naphthalene?
The canonical SMILES for 2,6-bis(3-ethylheptyl)naphthalene is CCCCC(CC)CCc1ccc2cc(CCC(CC)CCCC)ccc2c1.
What is the InChIKey of 2,6-bis(3-ethylheptyl)naphthalene?
The InChIKey is UEWZCZFKUNKRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44/c1-5-9-11-23(7-3)13-15-25-17-19-28-22-26(18-20-27(28)21-25)16-14-24(8-4)12-10-6-2/h17-24H,5-16H2,1-4H3.
What are the key properties of 2,6-bis(3-ethylheptyl)naphthalene?
2,6-bis(3-ethylheptyl)naphthalene has a molecular weight of 380.66 g/mol, XLogP of 9.14, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-ethylheptyl)naphthalene is sourced from PubChem (CID 91473805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).