4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one

C17H30O2 — CID 65425226

IUPAC4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
SMILESCCCC1CCC(C(=O)CCCC2CCCO2)CC1
InChIInChI=1S/C17H30O2/c1-2-5-14-9-11-15(12-10-14)17(18)8-3-6-16-7-4-13-19-16/h14-16H,2-13H2,1H3
InChIKeyNDNSEVLSWVDRJF-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.51
Rot. Bonds7

About 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one

4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one (PubChem CID 65425226) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
PubChem CID65425226
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
SMILESCCCC1CCC(C(=O)CCCC2CCCO2)CC1
InChIInChI=1S/C17H30O2/c1-2-5-14-9-11-15(12-10-14)17(18)8-3-6-16-7-4-13-19-16/h14-16H,2-13H2,1H3
InChIKeyNDNSEVLSWVDRJF-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)cyclohexyl]-4-(oxolan-2-yl)butan-1-one
CID 116592511
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
1-(oxolan-2-yl)undecan-4-one
CID 114976697
1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
CID 116557342
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
CID 107187091
5-(oxolan-2-yl)pentanamide
CID 67128385
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
7-(oxolan-2-yl)heptanoic acid
CID 174977398
1-(4-propylcyclohexyl)pent-4-yn-1-one
CID 65424447
3-[(2S)-oxolan-2-yl]propyl octanoate
CID 98092335

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one?
The IUPAC name of 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one (CID 65425226) is 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one is CCCC1CCC(C(=O)CCCC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one?
The InChIKey is NDNSEVLSWVDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-5-14-9-11-15(12-10-14)17(18)8-3-6-16-7-4-13-19-16/h14-16H,2-13H2,1H3.
What are the key properties of 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one?
4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one has a molecular weight of 266.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one is sourced from PubChem (CID 65425226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).