[2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol

C10H18OS2 — CID 134878656

IUPAC[2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol
SMILESCC(C)=CCCC1(CO)SCCS1
InChIInChI=1S/C10H18OS2/c1-9(2)4-3-5-10(8-11)12-6-7-13-10/h4,11H,3,5-8H2,1-2H3
InChIKeyGBSKUSVKERLATF-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.90
Rot. Bonds4

About [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol

[2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol (PubChem CID 134878656) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol.

Molecular Properties

Compound Name[2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol
PubChem CID134878656
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name[2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol
SMILESCC(C)=CCCC1(CO)SCCS1
InChIInChI=1S/C10H18OS2/c1-9(2)4-3-5-10(8-11)12-6-7-13-10/h4,11H,3,5-8H2,1-2H3
InChIKeyGBSKUSVKERLATF-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.90
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

2-(5-Ethyl-2,3-dihydrothiophen-2-yl)ethanol
CID 68334967
2-(5-methyl-2-prop-1-en-2-yl-2H-thiophen-5-yl)ethanol
CID 118437143
2,6-Dimethyl-2-propylsulfanylhept-5-en-1-ol
CID 123332822
2-(2,5-Dihydrothiophen-3-yl)ethanol;ethane
CID 141924616
(E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol
CID 10476363
[2-(4-Methylpent-3-enyl)-1,3-dithian-2-yl]methanol
CID 15059665
4-(3-Methylbut-2-enyl)thiolan-3-ol
CID 83189941
[(3E)-4,8-dimethylnona-3,7-dienyl]-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-2-yl]-methylsulfanium
CID 101604106
3-Methyl-1-(thiolan-2-yl)but-2-en-1-ol
CID 105110179
2-(Cyclopenten-1-ylmethylsulfanyl)propan-1-ol
CID 131226977
(2Z)-2-[(2-methylthiolan-2-yl)methylidene]butan-1-ol
CID 133613283

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol?
The IUPAC name of [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol (CID 134878656) is [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol.
What is the SMILES notation for [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol?
The canonical SMILES for [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol is CC(C)=CCCC1(CO)SCCS1.
What is the InChIKey of [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol?
The InChIKey is GBSKUSVKERLATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-9(2)4-3-5-10(8-11)12-6-7-13-10/h4,11H,3,5-8H2,1-2H3.
What are the key properties of [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol?
[2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol has a molecular weight of 218.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]methanol is sourced from PubChem (CID 134878656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).