6-benzylcyclodecan-1-one

C17H24O — CID 22319830

IUPAC6-benzylcyclodecan-1-one
SMILESO=C1CCCCC(Cc2ccccc2)CCCC1
InChIInChI=1S/C17H24O/c18-17-12-6-4-10-16(11-5-7-13-17)14-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2
InChIKeyGKBWJKGJETXCJH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.55
Rot. Bonds2

About 6-benzylcyclodecan-1-one

6-benzylcyclodecan-1-one (PubChem CID 22319830) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-benzylcyclodecan-1-one.

Molecular Properties

Compound Name6-benzylcyclodecan-1-one
PubChem CID22319830
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name6-benzylcyclodecan-1-one
SMILESO=C1CCCCC(Cc2ccccc2)CCCC1
InChIInChI=1S/C17H24O/c18-17-12-6-4-10-16(11-5-7-13-17)14-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2
InChIKeyGKBWJKGJETXCJH-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzylcycloheptan-1-one
CID 57223081
cyclopentylmethylbenzene;formamide
CID 174870384
6-benzyl-2,3-dihydroxycyclodecan-1-one
CID 22319895
butane;cyclopentylmethylbenzene
CID 143522605
1,3-dibenzylcyclooctane
CID 3045388
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
3-[(3-bromophenyl)methyl]cycloheptan-1-one
CID 64503625
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
cyclopropylmethylbenzene;ethane;methane
CID 142248267
3-[(4-fluorophenyl)methyl]cyclohexan-1-one
CID 13439748
3-[(4-chlorophenyl)methyl]cyclohexan-1-one
CID 64519939

Frequently Asked Questions

What is the IUPAC name of 6-benzylcyclodecan-1-one?
The IUPAC name of 6-benzylcyclodecan-1-one (CID 22319830) is 6-benzylcyclodecan-1-one.
What is the SMILES notation for 6-benzylcyclodecan-1-one?
The canonical SMILES for 6-benzylcyclodecan-1-one is O=C1CCCCC(Cc2ccccc2)CCCC1.
What is the InChIKey of 6-benzylcyclodecan-1-one?
The InChIKey is GKBWJKGJETXCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c18-17-12-6-4-10-16(11-5-7-13-17)14-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2.
What are the key properties of 6-benzylcyclodecan-1-one?
6-benzylcyclodecan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylcyclodecan-1-one is sourced from PubChem (CID 22319830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).