3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene

C32H36O2 — CID 122395974

IUPAC3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene
SMILESC=Cc1cc2ccccc2c(-c2c(OCCCCC)ccc3ccccc23)c1OCCCCC
InChIInChI=1S/C32H36O2/c1-4-7-13-21-33-29-20-19-25-15-9-11-17-27(25)30(29)31-28-18-12-10-16-26(28)23-24(6-3)32(31)34-22-14-8-5-2/h6,9-12,15-20,23H,3-5,7-8,13-14,21-22H2,1-2H3
InChIKeyJSDKJZFQDNCUMM-UHFFFAOYSA-N
MW452.64 g/mol
LogP9.44
Rot. Bonds12

About 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene

3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene (PubChem CID 122395974) has the molecular formula C32H36O2 and a molecular weight of 452.64 g/mol. Its IUPAC name is 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene
PubChem CID122395974
Molecular FormulaC32H36O2
Molecular Weight452.64 g/mol
Exact Mass452.27
IUPAC Name3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene
SMILESC=Cc1cc2ccccc2c(-c2c(OCCCCC)ccc3ccccc23)c1OCCCCC
InChIInChI=1S/C32H36O2/c1-4-7-13-21-33-29-20-19-25-15-9-11-17-27(25)30(29)31-28-18-12-10-16-26(28)23-24(6-3)32(31)34-22-14-8-5-2/h6,9-12,15-20,23H,3-5,7-8,13-14,21-22H2,1-2H3
InChIKeyJSDKJZFQDNCUMM-UHFFFAOYSA-N
XLogP9.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
1-ethenyl-2-heptadecoxybenzene
CID 139672731
2-ethenyl-1,4-di(tetradecoxy)benzene
CID 102407771
[4-[3-(hydroxymethyl)-2-octoxynaphthalen-1-yl]-3-octoxynaphthalen-2-yl]methanol
CID 122402646
6-bromo-1-(6-bromo-2-dodecoxynaphthalen-1-yl)-2-dodecoxynaphthalene
CID 102477251
4,5-dihexoxyhexacyclo[14.7.1.02,7.08,24.09,14.018,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 177405300
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
1-nonoxyanthracene
CID 86193569
1-bromo-2-nonoxynaphthalene
CID 63529773
1,4-didodecoxynaphthalene
CID 21304164
[1-(2-heptoxynaphthalen-1-yl)naphthalen-2-yl] 4-oxo-4-phenylbutanoate
CID 10578462

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene?
The IUPAC name of 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene (CID 122395974) is 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene.
What is the SMILES notation for 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene?
The canonical SMILES for 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene is C=Cc1cc2ccccc2c(-c2c(OCCCCC)ccc3ccccc23)c1OCCCCC.
What is the InChIKey of 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene?
The InChIKey is JSDKJZFQDNCUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O2/c1-4-7-13-21-33-29-20-19-25-15-9-11-17-27(25)30(29)31-28-18-12-10-16-26(28)23-24(6-3)32(31)34-22-14-8-5-2/h6,9-12,15-20,23H,3-5,7-8,13-14,21-22H2,1-2H3.
What are the key properties of 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene?
3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene has a molecular weight of 452.64 g/mol, XLogP of 9.44, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene is sourced from PubChem (CID 122395974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).