3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol

C10H20O2S — CID 123526385

IUPAC3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol
SMILESCC=C(SCC(O)CO)C(C)CC
InChIInChI=1S/C10H20O2S/c1-4-8(3)10(5-2)13-7-9(12)6-11/h5,8-9,11-12H,4,6-7H2,1-3H3
InChIKeyBCOGQIUGDXKGQA-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.02
Rot. Bonds6

About 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol

3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol (PubChem CID 123526385) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol
PubChem CID123526385
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol
SMILESCC=C(SCC(O)CO)C(C)CC
InChIInChI=1S/C10H20O2S/c1-4-8(3)10(5-2)13-7-9(12)6-11/h5,8-9,11-12H,4,6-7H2,1-3H3
InChIKeyBCOGQIUGDXKGQA-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropane-1,2-diol
CID 71498429
(1R)-2-tert-butylsulfinyl-1-cyclohexa-2,5-dien-1-ylethanol
CID 134896590
3-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)propane-1,2-diol
CID 77995044
1-(2-Hydroxyhex-4-enylsulfanyl)hex-4-en-2-ol
CID 141429813
1-(Cyclohexa-2,4-dien-1-ylmethylsulfanyl)butan-2-ol
CID 142016588
3-[(E)-3-methylpent-2-enyl]sulfanylpropane-1,2-diol
CID 173921040
1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol
CID 10103623
(2S,3R)-5-methyl-3-(methylsulfanylmethyl)hex-4-en-2-ol
CID 11805246
(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol
CID 130756875

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol?
The IUPAC name of 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol (CID 123526385) is 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol.
What is the SMILES notation for 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol?
The canonical SMILES for 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol is CC=C(SCC(O)CO)C(C)CC.
What is the InChIKey of 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol?
The InChIKey is BCOGQIUGDXKGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-4-8(3)10(5-2)13-7-9(12)6-11/h5,8-9,11-12H,4,6-7H2,1-3H3.
What are the key properties of 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol?
3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol has a molecular weight of 204.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylhex-2-en-3-ylsulfanyl)propane-1,2-diol is sourced from PubChem (CID 123526385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).