1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one

C25H34O3 — CID 10110463

IUPAC1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one
SMILESCC(CO)(CCCC(=O)CCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O3/c1-24(19-26,21-11-5-3-6-12-21)17-9-15-23(28)16-10-18-25(2,20-27)22-13-7-4-8-14-22/h3-8,11-14,26-27H,9-10,15-20H2,1-2H3
InChIKeyZLSDDICVPOHWTB-UHFFFAOYSA-N
MW382.54 g/mol
LogP4.80
Rot. Bonds12

About 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one

1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one (PubChem CID 10110463) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one.

Molecular Properties

Compound Name1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one
PubChem CID10110463
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one
SMILESCC(CO)(CCCC(=O)CCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O3/c1-24(19-26,21-11-5-3-6-12-21)17-9-15-23(28)16-10-18-25(2,20-27)22-13-7-4-8-14-22/h3-8,11-14,26-27H,9-10,15-20H2,1-2H3
InChIKeyZLSDDICVPOHWTB-UHFFFAOYSA-N
XLogP4.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one?
The IUPAC name of 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one (CID 10110463) is 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one.
What is the SMILES notation for 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one?
The canonical SMILES for 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one is CC(CO)(CCCC(=O)CCCC(C)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one?
The InChIKey is ZLSDDICVPOHWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-24(19-26,21-11-5-3-6-12-21)17-9-15-23(28)16-10-18-25(2,20-27)22-13-7-4-8-14-22/h3-8,11-14,26-27H,9-10,15-20H2,1-2H3.
What are the key properties of 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one?
1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one has a molecular weight of 382.54 g/mol, XLogP of 4.80, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dihydroxy-2,10-dimethyl-2,10-diphenylundecan-6-one is sourced from PubChem (CID 10110463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).