1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane

C10H20O2S — CID 155608131

IUPAC1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane
SMILESCCCCCS/C=C\COCOC
InChIInChI=1S/C10H20O2S/c1-3-4-5-8-13-9-6-7-12-10-11-2/h6,9H,3-5,7-8,10H2,1-2H3/b9-6-
InChIKeyCHPCYZLBOBTXBG-TWGQIWQCSA-N
MW204.33 g/mol
LogP3.04
Rot. Bonds9

About 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane

1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane (PubChem CID 155608131) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane.

Molecular Properties

Compound Name1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane
PubChem CID155608131
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane
SMILESCCCCCS/C=C\COCOC
InChIInChI=1S/C10H20O2S/c1-3-4-5-8-13-9-6-7-12-10-11-2/h6,9H,3-5,7-8,10H2,1-2H3/b9-6-
InChIKeyCHPCYZLBOBTXBG-TWGQIWQCSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane?
The IUPAC name of 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane (CID 155608131) is 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane.
What is the SMILES notation for 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane?
The canonical SMILES for 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane is CCCCCS/C=C\COCOC.
What is the InChIKey of 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane?
The InChIKey is CHPCYZLBOBTXBG-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-4-5-8-13-9-6-7-12-10-11-2/h6,9H,3-5,7-8,10H2,1-2H3/b9-6-.
What are the key properties of 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane?
1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane has a molecular weight of 204.33 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(methoxymethoxy)prop-1-enyl]sulfanylpentane is sourced from PubChem (CID 155608131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).