2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one

C33H34O — CID 139998255

IUPAC2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one
SMILESCC(C)C(C=CC(=O)C=CC(c1cccc2ccccc12)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C33H34O/c1-23(2)28(32-17-9-13-25-11-5-7-15-30(25)32)21-19-27(34)20-22-29(24(3)4)33-18-10-14-26-12-6-8-16-31(26)33/h5-24,28-29H,1-4H3
InChIKeyBHNQAMBWCRVHCH-UHFFFAOYSA-N
MW446.63 g/mol
LogP8.85
Rot. Bonds8

About 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one

2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one (PubChem CID 139998255) has the molecular formula C33H34O and a molecular weight of 446.63 g/mol. Its IUPAC name is 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one.

Molecular Properties

Compound Name2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one
PubChem CID139998255
Molecular FormulaC33H34O
Molecular Weight446.63 g/mol
Exact Mass446.26
IUPAC Name2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one
SMILESCC(C)C(C=CC(=O)C=CC(c1cccc2ccccc12)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C33H34O/c1-23(2)28(32-17-9-13-25-11-5-7-15-30(25)32)21-19-27(34)20-22-29(24(3)4)33-18-10-14-26-12-6-8-16-31(26)33/h5-24,28-29H,1-4H3
InChIKeyBHNQAMBWCRVHCH-UHFFFAOYSA-N
XLogP8.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-naphthalen-1-ylbutanoic acid
CID 43211329
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol
CID 122206175
dimethyl 2-[(1S)-1-naphthalen-1-ylprop-2-enyl]propanedioate
CID 11001003
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068

Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one?
The IUPAC name of 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one (CID 139998255) is 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one.
What is the SMILES notation for 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one?
The canonical SMILES for 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one is CC(C)C(C=CC(=O)C=CC(c1cccc2ccccc12)C(C)C)c1cccc2ccccc12.
What is the InChIKey of 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one?
The InChIKey is BHNQAMBWCRVHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O/c1-23(2)28(32-17-9-13-25-11-5-7-15-30(25)32)21-19-27(34)20-22-29(24(3)4)33-18-10-14-26-12-6-8-16-31(26)33/h5-24,28-29H,1-4H3.
What are the key properties of 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one?
2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one has a molecular weight of 446.63 g/mol, XLogP of 8.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-3,9-dinaphthalen-1-ylundeca-4,7-dien-6-one is sourced from PubChem (CID 139998255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).