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

C10H18S2 — CID 15059664

IUPAC2-(4-methylpent-3-enyl)-1,3-dithiane
SMILESCC(C)=CCCC1SCCCS1
InChIInChI=1S/C10H18S2/c1-9(2)5-3-6-10-11-7-4-8-12-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyPHZMRVWUQFKBQF-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.93
Rot. Bonds3

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

2-(4-methylpent-3-enyl)-1,3-dithiane (PubChem CID 15059664) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 2-(4-methylpent-3-enyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(4-methylpent-3-enyl)-1,3-dithiane
PubChem CID15059664
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name2-(4-methylpent-3-enyl)-1,3-dithiane
SMILESCC(C)=CCCC1SCCCS1
InChIInChI=1S/C10H18S2/c1-9(2)5-3-6-10-11-7-4-8-12-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyPHZMRVWUQFKBQF-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.93
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

2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dithiolane
CID 10922282
Thiocyclohexane, 4-propylidene
CID 91748963
2-[(E)-pent-1-enyl]-1,3-dithiane
CID 11041517
2-[(Z)-oct-2-enyl]-1,3-dithiane
CID 11117877
2-[(E)-oct-1-enyl]-1,3-dithiane
CID 11128131
3,6-Dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 12669527
2-(Cyclohepta-1,3,5-trien-1-yl)-1,3-dithiane
CID 13070101
2-[(1Z)-1-octenyl]-1,3-dithiane
CID 14322876
2-[(E)-hex-4-enyl]-1,3-dithiane
CID 14783961
(E)-4-tert-butylsulfanyl-3-methylpent-2-ene
CID 17759101
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dithiane
CID 21772660
2-Methyl-1-[(2-methylpent-2-EN-1-YL)sulfanyl]pent-2-ene
CID 71327748

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-enyl)-1,3-dithiane?
The IUPAC name of 2-(4-methylpent-3-enyl)-1,3-dithiane (CID 15059664) is 2-(4-methylpent-3-enyl)-1,3-dithiane.
What is the SMILES notation for 2-(4-methylpent-3-enyl)-1,3-dithiane?
The canonical SMILES for 2-(4-methylpent-3-enyl)-1,3-dithiane is CC(C)=CCCC1SCCCS1.
What is the InChIKey of 2-(4-methylpent-3-enyl)-1,3-dithiane?
The InChIKey is PHZMRVWUQFKBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-9(2)5-3-6-10-11-7-4-8-12-10/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of 2-(4-methylpent-3-enyl)-1,3-dithiane?
2-(4-methylpent-3-enyl)-1,3-dithiane has a molecular weight of 202.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-enyl)-1,3-dithiane is sourced from PubChem (CID 15059664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).