(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene

C8H14OS — CID 142317343

IUPAC(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
SMILESC/C=C\C(=C/CC)COS
InChIInChI=1S/C8H14OS/c1-3-5-8(6-4-2)7-9-10/h3,5-6,10H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyUIRJNXBHKKTGNX-CUKJDEOPSA-N
MW158.27 g/mol
LogP2.76
Rot. Bonds4

About (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene

(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene (PubChem CID 142317343) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
PubChem CID142317343
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
SMILESC/C=C\C(=C/CC)COS
InChIInChI=1S/C8H14OS/c1-3-5-8(6-4-2)7-9-10/h3,5-6,10H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyUIRJNXBHKKTGNX-CUKJDEOPSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103605
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate
CID 142861661
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
CID 134570205
(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene
CID 178040675
(2E,4Z)-3-(hydroperoxymethyl)hexa-2,4-diene
CID 89084201
(3E,5Z)-4-(propoxymethyl)octa-3,5-diene
CID 130374404
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene
CID 144729713
(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide
CID 89285655
4-ethylidene-5-methylocta-2,5-diene
CID 123325862

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene?
The IUPAC name of (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene (CID 142317343) is (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene?
The canonical SMILES for (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene is C/C=C\C(=C/CC)COS.
What is the InChIKey of (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene?
The InChIKey is UIRJNXBHKKTGNX-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-5-8(6-4-2)7-9-10/h3,5-6,10H,4,7H2,1-2H3/b5-3-,8-6+.
What are the key properties of (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene?
(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene has a molecular weight of 158.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene is sourced from PubChem (CID 142317343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).