2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone

C64H74O4 — CID 161425936

IUPAC2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone
SMILESCC(C)=CCC/C(C)=C/CC1CCCC1=O.CCCCCCCCC=CC1CCCC1=O.O=C(c1ccccc1)c1ccc2ccccc2c1.O=C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/2C17H12O.C15H24O.C15H26O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16;18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16;1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16;1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(14)16/h2*1-12H;6,10,14H,4-5,7-9,11H2,1-3H3;9,11,14H,2-8,10,12-13H2,1H3/b;;13-10+;
InChIKeyVXIYJBMYMXHMDA-MDXHUEHBSA-N
MW907.29 g/mol
LogP17.24
Rot. Bonds17

About 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone

2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone (PubChem CID 161425936) has the molecular formula C64H74O4 and a molecular weight of 907.29 g/mol. Its IUPAC name is 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone.

Molecular Properties

Compound Name2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone
PubChem CID161425936
Molecular FormulaC64H74O4
Molecular Weight907.29 g/mol
Exact Mass906.56
IUPAC Name2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone
SMILESCC(C)=CCC/C(C)=C/CC1CCCC1=O.CCCCCCCCC=CC1CCCC1=O.O=C(c1ccccc1)c1ccc2ccccc2c1.O=C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/2C17H12O.C15H24O.C15H26O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16;18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16;1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16;1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(14)16/h2*1-12H;6,10,14H,4-5,7-9,11H2,1-3H3;9,11,14H,2-8,10,12-13H2,1H3/b;;13-10+;
InChIKeyVXIYJBMYMXHMDA-MDXHUEHBSA-N
XLogP17.24
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.29
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone with MolForge

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Related Compounds

2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one
CID 12619393
(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
[(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate
CID 98084110
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] naphthalene-1-carboxylate
CID 67644130
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid
CID 102123848
4-benzoyl-N,N-bis(octadec-1-enyl)benzamide
CID 139819792
[3-decoxy-8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxochromen-4-yl] benzoate
CID 19929364
1-oct-2-en-2-ylnaphthalene
CID 71332649
6-heptyloxan-2-one;3-methyl-5-pentylcyclohex-2-en-1-ol;5-octyloxolan-2-one;3-(2-oxopropyl)-2-pentylcyclopentan-1-one;2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentan-1-one
CID 158563103
(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
phenanthren-2-yl(phenyl)methanone
CID 131857195

Frequently Asked Questions

What is the IUPAC name of 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone?
The IUPAC name of 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone (CID 161425936) is 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone.
What is the SMILES notation for 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone?
The canonical SMILES for 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone is CC(C)=CCC/C(C)=C/CC1CCCC1=O.CCCCCCCCC=CC1CCCC1=O.O=C(c1ccccc1)c1ccc2ccccc2c1.O=C(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone?
The InChIKey is VXIYJBMYMXHMDA-MDXHUEHBSA-N. The full InChI is InChI=1S/2C17H12O.C15H24O.C15H26O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16;18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16;1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16;1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(14)16/h2*1-12H;6,10,14H,4-5,7-9,11H2,1-3H3;9,11,14H,2-8,10,12-13H2,1H3/b;;13-10+;.
What are the key properties of 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone?
2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone has a molecular weight of 907.29 g/mol, XLogP of 17.24, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-enylcyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one;naphthalen-1-yl(phenyl)methanone;naphthalen-2-yl(phenyl)methanone is sourced from PubChem (CID 161425936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).