2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene

C25H34O — CID 70265220

IUPAC2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene
SMILESC=CCc1ccc2cc(C=CCCCC(C)OCCCCC)ccc2c1
InChIInChI=1S/C25H34O/c1-4-6-10-18-26-21(3)12-8-7-9-13-23-15-17-24-19-22(11-5-2)14-16-25(24)20-23/h5,9,13-17,19-21H,2,4,6-8,10-12,18H2,1,3H3
InChIKeyLOYWWTFWJFPBAJ-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.35
Rot. Bonds12

About 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene

2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene (PubChem CID 70265220) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene.

Molecular Properties

Compound Name2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene
PubChem CID70265220
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene
SMILESC=CCc1ccc2cc(C=CCCCC(C)OCCCCC)ccc2c1
InChIInChI=1S/C25H34O/c1-4-6-10-18-26-21(3)12-8-7-9-13-23-15-17-24-19-22(11-5-2)14-16-25(24)20-23/h5,9,13-17,19-21H,2,4,6-8,10-12,18H2,1,3H3
InChIKeyLOYWWTFWJFPBAJ-UHFFFAOYSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylnaphthalene
CID 70264514
2-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70264415
2-[2,3-difluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylnaphthalene
CID 70265121
6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline
CID 70260882
5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
CID 70263243
1-(6-pentoxyhept-1-enyl)-4-[4-(4-prop-2-enoxyphenyl)phenyl]benzene
CID 70263182
2-[(E)-6-pentoxyhept-1-enyl]-5-[4-(4-prop-2-enylphenyl)phenyl]pyrimidine
CID 70264469
2-fluoro-1-[(E)-6-pentoxyhept-1-enyl]-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 70265065
2,3-difluoro-1-(6-pentoxyhept-1-enyl)-4-(4-prop-2-enylphenyl)benzene
CID 70264407
3-[4-(6-pentoxyhept-1-enyl)phenyl]-6-(4-prop-2-enoxyphenyl)pyridazine
CID 70260677
2-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-5-[(E)-6-pentoxyhept-1-enyl]pyridine
CID 70260749
2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine
CID 70265327

Frequently Asked Questions

What is the IUPAC name of 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene?
The IUPAC name of 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene (CID 70265220) is 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene.
What is the SMILES notation for 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene?
The canonical SMILES for 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene is C=CCc1ccc2cc(C=CCCCC(C)OCCCCC)ccc2c1.
What is the InChIKey of 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene?
The InChIKey is LOYWWTFWJFPBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-4-6-10-18-26-21(3)12-8-7-9-13-23-15-17-24-19-22(11-5-2)14-16-25(24)20-23/h5,9,13-17,19-21H,2,4,6-8,10-12,18H2,1,3H3.
What are the key properties of 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene?
2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene has a molecular weight of 350.55 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pentoxyhept-1-enyl)-6-prop-2-enylnaphthalene is sourced from PubChem (CID 70265220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).