1-ethylsulfonyl-4-methyloct-7-en-4-ol

C11H22O3S — CID 104656367

IUPAC1-ethylsulfonyl-4-methyloct-7-en-4-ol
SMILESC=CCCC(C)(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H22O3S/c1-4-6-8-11(3,12)9-7-10-15(13,14)5-2/h4,12H,1,5-10H2,2-3H3
InChIKeySCAAIXQLOJLCQD-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.92
Rot. Bonds8

About 1-ethylsulfonyl-4-methyloct-7-en-4-ol

1-ethylsulfonyl-4-methyloct-7-en-4-ol (PubChem CID 104656367) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-methyloct-7-en-4-ol.

Molecular Properties

Compound Name1-ethylsulfonyl-4-methyloct-7-en-4-ol
PubChem CID104656367
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name1-ethylsulfonyl-4-methyloct-7-en-4-ol
SMILESC=CCCC(C)(O)CCCS(=O)(=O)CC
InChIInChI=1S/C11H22O3S/c1-4-6-8-11(3,12)9-7-10-15(13,14)5-2/h4,12H,1,5-10H2,2-3H3
InChIKeySCAAIXQLOJLCQD-UHFFFAOYSA-N
XLogP1.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-Tetrahydro-2,5-dimethyl-4-vinyl-thiopyran-4-ol 1,1-dioxide
CID 129803724
trans-Tetrahydro-2,5-dimethyl-4-vinylthiopyran-4-ol 1,1-dioxide
CID 129803890
4-(2-Methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol
CID 163463879
1-[2-(2-Methylpropane-2-sulfonyl)prop-2-en-1-yl]cyclopentan-1-ol
CID 13525580
2-Methylsulfonyl-1-prop-2-enylcyclopentan-1-ol
CID 79734301
4-Methyl-1-methylsulfonyloct-7-en-4-ol
CID 104656170
1-[[(E)-but-2-enyl]sulfonylmethyl]cyclohexan-1-ol
CID 109908890
3-Methyl-1-methylsulfonylhept-6-en-3-ol
CID 114983214
1-(3-Ethylsulfonylpropyl)cyclohex-2-en-1-ol
CID 116005171
3-But-3-enyl-1,1-dioxothiolan-3-ol
CID 130909370
3-Hydroxy-3-(prop-2-en-1-yl)-1lambda6-thiane-1,1-dione
CID 165441258

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-methyloct-7-en-4-ol?
The IUPAC name of 1-ethylsulfonyl-4-methyloct-7-en-4-ol (CID 104656367) is 1-ethylsulfonyl-4-methyloct-7-en-4-ol.
What is the SMILES notation for 1-ethylsulfonyl-4-methyloct-7-en-4-ol?
The canonical SMILES for 1-ethylsulfonyl-4-methyloct-7-en-4-ol is C=CCCC(C)(O)CCCS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonyl-4-methyloct-7-en-4-ol?
The InChIKey is SCAAIXQLOJLCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-4-6-8-11(3,12)9-7-10-15(13,14)5-2/h4,12H,1,5-10H2,2-3H3.
What are the key properties of 1-ethylsulfonyl-4-methyloct-7-en-4-ol?
1-ethylsulfonyl-4-methyloct-7-en-4-ol has a molecular weight of 234.36 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-methyloct-7-en-4-ol is sourced from PubChem (CID 104656367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).