1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane

C10H20OS — CID 19843653

IUPAC1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane
SMILESCCCCCCS/C=C/COC
InChIInChI=1S/C10H20OS/c1-3-4-5-6-9-12-10-7-8-11-2/h7,10H,3-6,8-9H2,1-2H3/b10-7+
InChIKeyTVFYVINCSVNIED-JXMROGBWSA-N
MW188.34 g/mol
LogP3.46
Rot. Bonds8

About 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane

1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane (PubChem CID 19843653) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane.

Molecular Properties

Compound Name1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane
PubChem CID19843653
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane
SMILESCCCCCCS/C=C/COC
InChIInChI=1S/C10H20OS/c1-3-4-5-6-9-12-10-7-8-11-2/h7,10H,3-6,8-9H2,1-2H3/b10-7+
InChIKeyTVFYVINCSVNIED-JXMROGBWSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-Butylxanthic acid, O-Allyl ester
CID 13277707
1-(1-Fluoro-3-methoxyprop-1-enyl)sulfanylhexane
CID 53699839
1-[(Z)-1-fluoro-3-methoxyprop-1-enyl]sulfanylhexane
CID 88619249
6-(3-Methoxyprop-1-en-2-ylsulfanyl)hexane-1-thiol
CID 176422602
6-[(E)-3-methoxyprop-1-enyl]sulfanylhexane-1-thiol
CID 176422603
6-[(Z)-3-methoxyprop-1-enyl]sulfanylhexane-1-thiol
CID 176422604
2-Propenyl 2,3-bis-(methylthio)propyl ether
CID 524110
Prop-2-enyl decylsulfanylformate
CID 101768188
3-Methoxy-3-methylsulfanylprop-1-ene
CID 18720097
O-prop-2-enyl pentylsulfanylmethanethioate
CID 21278565
3-Methoxy-1-hexylthio-1-propene
CID 54335577
1,3-Bis(methylsulfanyl)-2-prop-2-enoxypropane
CID 85767605

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane?
The IUPAC name of 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane (CID 19843653) is 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane.
What is the SMILES notation for 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane?
The canonical SMILES for 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane is CCCCCCS/C=C/COC.
What is the InChIKey of 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane?
The InChIKey is TVFYVINCSVNIED-JXMROGBWSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-4-5-6-9-12-10-7-8-11-2/h7,10H,3-6,8-9H2,1-2H3/b10-7+.
What are the key properties of 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane?
1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane has a molecular weight of 188.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methoxyprop-1-enyl]sulfanylhexane is sourced from PubChem (CID 19843653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).