2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol

C10H20OS — CID 86224258

IUPAC2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol
SMILESCSCC(C)(O)CCC=C(C)C
InChIInChI=1S/C10H20OS/c1-9(2)6-5-7-10(3,11)8-12-4/h6,11H,5,7-8H2,1-4H3
InChIKeyMCFJUAQYFHIHAU-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.85
Rot. Bonds5

About 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol

2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol (PubChem CID 86224258) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol
PubChem CID86224258
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol
SMILESCSCC(C)(O)CCC=C(C)C
InChIInChI=1S/C10H20OS/c1-9(2)6-5-7-10(3,11)8-12-4/h6,11H,5,7-8H2,1-4H3
InChIKeyMCFJUAQYFHIHAU-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-Dithian-2-yl)-2,6-dimethylhept-5-en-2-ol
CID 134986107
(3R)-3,7-dimethyl-1-propan-2-ylsulfanyloct-6-en-3-ol
CID 14153383
2,6-Dimethyl-2-propylsulfanylhept-5-en-1-ol
CID 123332822
(5Z,7Z)-5-ethenyl-8,9-dimethyl-3-methylsulfanyldeca-1,5,7-trien-2-ol
CID 129237755
2-(5-Methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
CID 146613118
3,7-Dimethylocta-1,6-dien-3-ol;methylsulfanylmethane
CID 174395398
(2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol
CID 11769251
5-Methyl-3-(2-methylprop-1-enyl)thiolan-3-ol
CID 79949343
4-(4-Methylpent-3-en-1-yl)thian-4-ol
CID 164654091
2-Methyl-3-(4-methylpent-3-en-1-yl)thian-3-ol
CID 164654103

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol?
The IUPAC name of 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol (CID 86224258) is 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol.
What is the SMILES notation for 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol?
The canonical SMILES for 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol is CSCC(C)(O)CCC=C(C)C.
What is the InChIKey of 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol?
The InChIKey is MCFJUAQYFHIHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-9(2)6-5-7-10(3,11)8-12-4/h6,11H,5,7-8H2,1-4H3.
What are the key properties of 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol?
2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-methylsulfanylhept-5-en-2-ol is sourced from PubChem (CID 86224258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).