4-ethylidene-1-methyl-1-methylsulfonylcyclohexane

C10H18O2S — CID 21048973

IUPAC4-ethylidene-1-methyl-1-methylsulfonylcyclohexane
SMILESCC=C1CCC(C)(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18O2S/c1-4-9-5-7-10(2,8-6-9)13(3,11)12/h4H,5-8H2,1-3H3/b9-4-
InChIKeyFWMTZNFHGBMHEH-WTKPLQERSA-N
MW202.32 g/mol
LogP2.31
Rot. Bonds1

About 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane

4-ethylidene-1-methyl-1-methylsulfonylcyclohexane (PubChem CID 21048973) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane.

Molecular Properties

Compound Name4-ethylidene-1-methyl-1-methylsulfonylcyclohexane
PubChem CID21048973
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name4-ethylidene-1-methyl-1-methylsulfonylcyclohexane
SMILESCC=C1CCC(C)(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18O2S/c1-4-9-5-7-10(2,8-6-9)13(3,11)12/h4H,5-8H2,1-3H3/b9-4-
InChIKeyFWMTZNFHGBMHEH-WTKPLQERSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene 1,1-dioxide
CID 15568359
(E)-4-(2-methylsulfonylethyl)hept-3-ene
CID 90474647
2,4,6-Trimethyl-1-methylsulfonylcyclohexa-1,3-diene
CID 21023525
4-Methyl-1-methylsulfonylcyclohexene
CID 21436434
3-Methyl-1-methylsulfonylcyclohexene
CID 21436437
5-Methyl-1-methylsulfonylcyclohexene
CID 21436442
6-Methyl-1-methylsulfonylcyclohexene
CID 21436460
1-methanesulfonyl-4-(R)-methyl-8-methylnon-7-ene
CID 22861489
1-methanesulfonyl-4-(S)-methyl-8-methylnon-7-ene
CID 22861490
2,6-Dimethyl-9-methylsulfonylnon-2-ene
CID 23295901
2-Methyl-10-methylsulfonyldec-2-ene
CID 53798966
5,5-dimethyl-4-propyl-2H-thiophene 1,1-dioxide
CID 54283063

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane?
The IUPAC name of 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane (CID 21048973) is 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane.
What is the SMILES notation for 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane?
The canonical SMILES for 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane is CC=C1CCC(C)(S(C)(=O)=O)CC1.
What is the InChIKey of 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane?
The InChIKey is FWMTZNFHGBMHEH-WTKPLQERSA-N. The full InChI is InChI=1S/C10H18O2S/c1-4-9-5-7-10(2,8-6-9)13(3,11)12/h4H,5-8H2,1-3H3/b9-4-.
What are the key properties of 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane?
4-ethylidene-1-methyl-1-methylsulfonylcyclohexane has a molecular weight of 202.32 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1-methyl-1-methylsulfonylcyclohexane is sourced from PubChem (CID 21048973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).