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

C33H34O — CID 139998268

IUPAC2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one
SMILESCC(C)(CC=CC(=O)C=CCC(C)(C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C33H34O/c1-32(2,30-21-9-15-25-13-5-7-19-28(25)30)23-11-17-27(34)18-12-24-33(3,4)31-22-10-16-26-14-6-8-20-29(26)31/h5-22H,23-24H2,1-4H3
InChIKeyGHEMPIUSOLUGHP-UHFFFAOYSA-N
MW446.63 g/mol
LogP8.71
Rot. Bonds8

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

2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one (PubChem CID 139998268) has the molecular formula C33H34O and a molecular weight of 446.63 g/mol. Its IUPAC name is 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one.

Molecular Properties

Compound Name2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one
PubChem CID139998268
Molecular FormulaC33H34O
Molecular Weight446.63 g/mol
Exact Mass446.26
IUPAC Name2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one
SMILESCC(C)(CC=CC(=O)C=CCC(C)(C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C33H34O/c1-32(2,30-21-9-15-25-13-5-7-19-28(25)30)23-11-17-27(34)18-12-24-33(3,4)31-22-10-16-26-14-6-8-20-29(26)31/h5-22H,23-24H2,1-4H3
InChIKeyGHEMPIUSOLUGHP-UHFFFAOYSA-N
XLogP8.71
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 ≤ 58.71
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

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Di(naphthalen-1-yl)methanone
CID 5122785
Di-(2-naphthylmethylene)acetone
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2,6-Bis(2-naphthylmethylene)cyclohexanone
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5,5-Dimethyl-3-naphthalen-2-ylcyclohex-2-en-1-one
CID 44143996
(E)-4-anthracen-9-ylbut-3-en-2-one
CID 76324783
2-methyl-3-[(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-1-yldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 102313196
2-methyl-3-[(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 102313197
2,5-Bis(2-naphthylmethylene)cyclopentanone
CID 6261330
4-(1-Naphthyl)-3-buten-2-one
CID 6365627
(2-Methylnaphthalen-1-yl)(naphthalen-2-yl)methanone
CID 22624812

Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one?
The IUPAC name of 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one (CID 139998268) is 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one.
What is the SMILES notation for 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one?
The canonical SMILES for 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one is CC(C)(CC=CC(=O)C=CCC(C)(C)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one?
The InChIKey is GHEMPIUSOLUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O/c1-32(2,30-21-9-15-25-13-5-7-19-28(25)30)23-11-17-27(34)18-12-24-33(3,4)31-22-10-16-26-14-6-8-20-29(26)31/h5-22H,23-24H2,1-4H3.
What are the key properties of 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one?
2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one has a molecular weight of 446.63 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one is sourced from PubChem (CID 139998268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).