1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one

C14H26O4S — CID 116748256

IUPAC1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one
SMILESCCOC1(C(=O)CCCS(=O)(=O)CC)CCCCC1
InChIInChI=1S/C14H26O4S/c1-3-18-14(10-6-5-7-11-14)13(15)9-8-12-19(16,17)4-2/h3-12H2,1-2H3
InChIKeyHTEWPFANLNDYRF-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.51
Rot. Bonds8

About 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one

1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one (PubChem CID 116748256) has the molecular formula C14H26O4S and a molecular weight of 290.42 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one
PubChem CID116748256
Molecular FormulaC14H26O4S
Molecular Weight290.42 g/mol
Exact Mass290.16
IUPAC Name1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one
SMILESCCOC1(C(=O)CCCS(=O)(=O)CC)CCCCC1
InChIInChI=1S/C14H26O4S/c1-3-18-14(10-6-5-7-11-14)13(15)9-8-12-19(16,17)4-2/h3-12H2,1-2H3
InChIKeyHTEWPFANLNDYRF-UHFFFAOYSA-N
XLogP2.51
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-1-(1-methoxycycloheptyl)butan-1-one
CID 116750409
1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
CID 116747883
1-[1-(aminomethyl)cycloheptyl]-4-ethylsulfonylbutan-1-one
CID 116602128
4-ethylsulfonyl-1-(1-methoxy-4,4-dimethylcyclohexyl)butan-1-one
CID 116750183
1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
CID 116600352
1-(1-ethoxycyclohexyl)but-3-yn-1-one
CID 116748359
2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
CID 116750829
1-(1-ethoxycycloheptyl)-3-(oxolan-2-yl)propan-1-one
CID 116750803
1-(4-ethoxyoxan-4-yl)-4-methoxybutan-1-one
CID 114854416
[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine
CID 105275655
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
1-(1-ethoxycycloheptyl)prop-2-yn-1-one
CID 116750710

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one?
The IUPAC name of 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one (CID 116748256) is 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one is CCOC1(C(=O)CCCS(=O)(=O)CC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one?
The InChIKey is HTEWPFANLNDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4S/c1-3-18-14(10-6-5-7-11-14)13(15)9-8-12-19(16,17)4-2/h3-12H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one?
1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one has a molecular weight of 290.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one is sourced from PubChem (CID 116748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).