1-(2-propylcyclohexyl)nonane-3,6-dione

C18H32O2 — CID 70817360

IUPAC1-(2-propylcyclohexyl)nonane-3,6-dione
SMILESCCCC(=O)CCC(=O)CCC1CCCCC1CCC
InChIInChI=1S/C18H32O2/c1-3-7-15-9-5-6-10-16(15)11-12-18(20)14-13-17(19)8-4-2/h15-16H,3-14H2,1-2H3
InChIKeyUVNZKUMSNWDIHW-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.09
Rot. Bonds10

About 1-(2-propylcyclohexyl)nonane-3,6-dione

1-(2-propylcyclohexyl)nonane-3,6-dione (PubChem CID 70817360) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1-(2-propylcyclohexyl)nonane-3,6-dione.

Molecular Properties

Compound Name1-(2-propylcyclohexyl)nonane-3,6-dione
PubChem CID70817360
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1-(2-propylcyclohexyl)nonane-3,6-dione
SMILESCCCC(=O)CCC(=O)CCC1CCCCC1CCC
InChIInChI=1S/C18H32O2/c1-3-7-15-9-5-6-10-16(15)11-12-18(20)14-13-17(19)8-4-2/h15-16H,3-14H2,1-2H3
InChIKeyUVNZKUMSNWDIHW-UHFFFAOYSA-N
XLogP5.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylhexan-3-one
CID 10856142
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
1-(2-ethylcyclohexyl)pentan-3-one
CID 64520349
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
8-cyclohexyloctan-4-one
CID 143863986
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
(1R)-2-propylcyclohexan-1-ol
CID 144627240
1-(oxan-4-yl)hexan-3-one
CID 62385519
1-cyclopentylpentadecan-3-one
CID 114969105
1-cyclopentylsulfanylpentan-2-one
CID 63115613
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
(2-propylcyclohexyl) propanoate
CID 101311520

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylcyclohexyl)nonane-3,6-dione?
The IUPAC name of 1-(2-propylcyclohexyl)nonane-3,6-dione (CID 70817360) is 1-(2-propylcyclohexyl)nonane-3,6-dione.
What is the SMILES notation for 1-(2-propylcyclohexyl)nonane-3,6-dione?
The canonical SMILES for 1-(2-propylcyclohexyl)nonane-3,6-dione is CCCC(=O)CCC(=O)CCC1CCCCC1CCC.
What is the InChIKey of 1-(2-propylcyclohexyl)nonane-3,6-dione?
The InChIKey is UVNZKUMSNWDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-7-15-9-5-6-10-16(15)11-12-18(20)14-13-17(19)8-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-(2-propylcyclohexyl)nonane-3,6-dione?
1-(2-propylcyclohexyl)nonane-3,6-dione has a molecular weight of 280.45 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylcyclohexyl)nonane-3,6-dione is sourced from PubChem (CID 70817360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).