1,7-bis(prop-2-enylsulfanyl)heptane

C13H24S2 — CID 87533210

IUPAC1,7-bis(prop-2-enylsulfanyl)heptane
SMILESC=CCSCCCCCCCSCC=C
InChIInChI=1S/C13H24S2/c1-3-10-14-12-8-6-5-7-9-13-15-11-4-2/h3-4H,1-2,5-13H2
InChIKeyQUAQDIMEWKIDCP-UHFFFAOYSA-N
MW244.47 g/mol
LogP4.78
Rot. Bonds12

About 1,7-bis(prop-2-enylsulfanyl)heptane

1,7-bis(prop-2-enylsulfanyl)heptane (PubChem CID 87533210) has the molecular formula C13H24S2 and a molecular weight of 244.47 g/mol. Its IUPAC name is 1,7-bis(prop-2-enylsulfanyl)heptane.

Molecular Properties

Compound Name1,7-bis(prop-2-enylsulfanyl)heptane
PubChem CID87533210
Molecular FormulaC13H24S2
Molecular Weight244.47 g/mol
Exact Mass244.13
IUPAC Name1,7-bis(prop-2-enylsulfanyl)heptane
SMILESC=CCSCCCCCCCSCC=C
InChIInChI=1S/C13H24S2/c1-3-10-14-12-8-6-5-7-9-13-15-11-4-2/h3-4H,1-2,5-13H2
InChIKeyQUAQDIMEWKIDCP-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-bis(prop-2-enylsulfanyl)heptane?
The IUPAC name of 1,7-bis(prop-2-enylsulfanyl)heptane (CID 87533210) is 1,7-bis(prop-2-enylsulfanyl)heptane.
What is the SMILES notation for 1,7-bis(prop-2-enylsulfanyl)heptane?
The canonical SMILES for 1,7-bis(prop-2-enylsulfanyl)heptane is C=CCSCCCCCCCSCC=C.
What is the InChIKey of 1,7-bis(prop-2-enylsulfanyl)heptane?
The InChIKey is QUAQDIMEWKIDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S2/c1-3-10-14-12-8-6-5-7-9-13-15-11-4-2/h3-4H,1-2,5-13H2.
What are the key properties of 1,7-bis(prop-2-enylsulfanyl)heptane?
1,7-bis(prop-2-enylsulfanyl)heptane has a molecular weight of 244.47 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(prop-2-enylsulfanyl)heptane is sourced from PubChem (CID 87533210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).