2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane

C11H20S2 — CID 134878388

IUPAC2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane
SMILESC=C(C)CCCC1(C)SCCCS1
InChIInChI=1S/C11H20S2/c1-10(2)6-4-7-11(3)12-8-5-9-13-11/h1,4-9H2,2-3H3
InChIKeyKWKIWMNPDKKZLP-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.32
Rot. Bonds4

About 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane

2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane (PubChem CID 134878388) has the molecular formula C11H20S2 and a molecular weight of 216.41 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane.

Molecular Properties

Compound Name2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane
PubChem CID134878388
Molecular FormulaC11H20S2
Molecular Weight216.41 g/mol
Exact Mass216.10
IUPAC Name2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane
SMILESC=C(C)CCCC1(C)SCCCS1
InChIInChI=1S/C11H20S2/c1-10(2)6-4-7-11(3)12-8-5-9-13-11/h1,4-9H2,2-3H3
InChIKeyKWKIWMNPDKKZLP-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Methylene-1,5-dithiaspiro[5.11]heptadecane
CID 384292
5-Octyl-2,3-dihydro-1,4-dithiine
CID 11020709
4-Ethylsulfanyl-3-methyl-4-methylsulfanylhexa-1,2-diene
CID 12384786
2-Heptylidene-1,3-dithiane
CID 12516768
2-(2-Methylprop-2-en-1-yl)-1,3-dithiane
CID 12530061
5-(thian-2-yl)-3,4-dihydro-2H-thiopyran
CID 14448769
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dithiane
CID 21772660
2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithiane
CID 92036263
2-(Cyclohexen-1-ylmethyl)-2-methyl-1,3-dithiane
CID 121013456
8-Methyl-1,5-dithiaspiro[5.5]undec-7-ene
CID 132452145
8-(4-Methylpent-4-en-1-yl)-1,5-dithiaspiro[5.5]undec-7-ene
CID 132452154
Copper(1+);1-ethylsulfanyl-3-methanidylideneheptane
CID 134980193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane?
The IUPAC name of 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane (CID 134878388) is 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane.
What is the SMILES notation for 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane?
The canonical SMILES for 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane is C=C(C)CCCC1(C)SCCCS1.
What is the InChIKey of 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane?
The InChIKey is KWKIWMNPDKKZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S2/c1-10(2)6-4-7-11(3)12-8-5-9-13-11/h1,4-9H2,2-3H3.
What are the key properties of 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane?
2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane has a molecular weight of 216.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpent-4-enyl)-1,3-dithiane is sourced from PubChem (CID 134878388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).