2-[(E)-3-methylhex-2-enyl]-1,3-dithiane

C11H20S2 — CID 134991075

IUPAC2-[(E)-3-methylhex-2-enyl]-1,3-dithiane
SMILESCCC/C(C)=C/CC1SCCCS1
InChIInChI=1S/C11H20S2/c1-3-5-10(2)6-7-11-12-8-4-9-13-11/h6,11H,3-5,7-9H2,1-2H3/b10-6+
InChIKeyYHCIYRDTXDPDKQ-UXBLZVDNSA-N
MW216.41 g/mol
LogP4.32
Rot. Bonds4

About 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane

2-[(E)-3-methylhex-2-enyl]-1,3-dithiane (PubChem CID 134991075) has the molecular formula C11H20S2 and a molecular weight of 216.41 g/mol. Its IUPAC name is 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[(E)-3-methylhex-2-enyl]-1,3-dithiane
PubChem CID134991075
Molecular FormulaC11H20S2
Molecular Weight216.41 g/mol
Exact Mass216.10
IUPAC Name2-[(E)-3-methylhex-2-enyl]-1,3-dithiane
SMILESCCC/C(C)=C/CC1SCCCS1
InChIInChI=1S/C11H20S2/c1-3-5-10(2)6-7-11-12-8-4-9-13-11/h6,11H,3-5,7-9H2,1-2H3/b10-6+
InChIKeyYHCIYRDTXDPDKQ-UXBLZVDNSA-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

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CID 173056267
actinium;bis(3-methylhex-2-en-1-ol)
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2-[(E)-hept-3-en-3-yl]-1,3-dithiane
CID 5372644
2-nonyl-1,3-dithiane
CID 577314
(Z)-4,7-dimethylnon-4-ene
CID 143531390
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
4-methylhexadec-4-ene
CID 174447790
4-methyl-7-methylidenedec-4-ene
CID 173283032
2-[(2S)-2-methyloctyl]-1,3-dithiane
CID 11447987
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
2-[(Z)-but-2-en-2-yl]-1,3-dithiane
CID 21160312
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane?
The IUPAC name of 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane (CID 134991075) is 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane.
What is the SMILES notation for 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane?
The canonical SMILES for 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane is CCC/C(C)=C/CC1SCCCS1.
What is the InChIKey of 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane?
The InChIKey is YHCIYRDTXDPDKQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H20S2/c1-3-5-10(2)6-7-11-12-8-4-9-13-11/h6,11H,3-5,7-9H2,1-2H3/b10-6+.
What are the key properties of 2-[(E)-3-methylhex-2-enyl]-1,3-dithiane?
2-[(E)-3-methylhex-2-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-[(E)-3-methylhex-2-enyl]-1,3-dithiane is sourced from PubChem (CID 134991075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).