6-benzyl-2,3-dihydroxycyclodecan-1-one

C17H24O3 — CID 22319895

IUPAC6-benzyl-2,3-dihydroxycyclodecan-1-one
SMILESO=C1CCCCC(Cc2ccccc2)CCC(O)C1O
InChIInChI=1S/C17H24O3/c18-15-9-5-4-8-14(10-11-16(19)17(15)20)12-13-6-2-1-3-7-13/h1-3,6-7,14,16-17,19-20H,4-5,8-12H2
InChIKeyFCRNOEPRWRFMSI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds2

About 6-benzyl-2,3-dihydroxycyclodecan-1-one

6-benzyl-2,3-dihydroxycyclodecan-1-one (PubChem CID 22319895) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-benzyl-2,3-dihydroxycyclodecan-1-one.

Molecular Properties

Compound Name6-benzyl-2,3-dihydroxycyclodecan-1-one
PubChem CID22319895
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name6-benzyl-2,3-dihydroxycyclodecan-1-one
SMILESO=C1CCCCC(Cc2ccccc2)CCC(O)C1O
InChIInChI=1S/C17H24O3/c18-15-9-5-4-8-14(10-11-16(19)17(15)20)12-13-6-2-1-3-7-13/h1-3,6-7,14,16-17,19-20H,4-5,8-12H2
InChIKeyFCRNOEPRWRFMSI-UHFFFAOYSA-N
XLogP2.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3-dihydroxycyclodecan-1-one?
The IUPAC name of 6-benzyl-2,3-dihydroxycyclodecan-1-one (CID 22319895) is 6-benzyl-2,3-dihydroxycyclodecan-1-one.
What is the SMILES notation for 6-benzyl-2,3-dihydroxycyclodecan-1-one?
The canonical SMILES for 6-benzyl-2,3-dihydroxycyclodecan-1-one is O=C1CCCCC(Cc2ccccc2)CCC(O)C1O.
What is the InChIKey of 6-benzyl-2,3-dihydroxycyclodecan-1-one?
The InChIKey is FCRNOEPRWRFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c18-15-9-5-4-8-14(10-11-16(19)17(15)20)12-13-6-2-1-3-7-13/h1-3,6-7,14,16-17,19-20H,4-5,8-12H2.
What are the key properties of 6-benzyl-2,3-dihydroxycyclodecan-1-one?
6-benzyl-2,3-dihydroxycyclodecan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3-dihydroxycyclodecan-1-one is sourced from PubChem (CID 22319895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).