(Z)-7-methylsulfinylhept-3-en-2-ol

C8H16O2S — CID 135234917

IUPAC(Z)-7-methylsulfinylhept-3-en-2-ol
SMILESCC(O)/C=C\CCCS(C)=O
InChIInChI=1S/C8H16O2S/c1-8(9)6-4-3-5-7-11(2)10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-
InChIKeyUPUSEPGIFGCVGF-XQRVVYSFSA-N
MW176.28 g/mol
LogP1.08
Rot. Bonds5

About (Z)-7-methylsulfinylhept-3-en-2-ol

(Z)-7-methylsulfinylhept-3-en-2-ol (PubChem CID 135234917) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is (Z)-7-methylsulfinylhept-3-en-2-ol.

Molecular Properties

Compound Name(Z)-7-methylsulfinylhept-3-en-2-ol
PubChem CID135234917
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name(Z)-7-methylsulfinylhept-3-en-2-ol
SMILESCC(O)/C=C\CCCS(C)=O
InChIInChI=1S/C8H16O2S/c1-8(9)6-4-3-5-7-11(2)10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-
InChIKeyUPUSEPGIFGCVGF-XQRVVYSFSA-N
XLogP1.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-methylsulfinylhept-3-en-2-ol?
The IUPAC name of (Z)-7-methylsulfinylhept-3-en-2-ol (CID 135234917) is (Z)-7-methylsulfinylhept-3-en-2-ol.
What is the SMILES notation for (Z)-7-methylsulfinylhept-3-en-2-ol?
The canonical SMILES for (Z)-7-methylsulfinylhept-3-en-2-ol is CC(O)/C=C\CCCS(C)=O.
What is the InChIKey of (Z)-7-methylsulfinylhept-3-en-2-ol?
The InChIKey is UPUSEPGIFGCVGF-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H16O2S/c1-8(9)6-4-3-5-7-11(2)10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of (Z)-7-methylsulfinylhept-3-en-2-ol?
(Z)-7-methylsulfinylhept-3-en-2-ol has a molecular weight of 176.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methylsulfinylhept-3-en-2-ol is sourced from PubChem (CID 135234917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).