(E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol

C18H24S2 — CID 89190372

IUPAC(E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol
SMILESS/C=C/C12CC3CC4C1CC1CC2C(C3)C4(/C=C/S)C1
InChIInChI=1S/C18H24S2/c19-3-1-17-9-11-7-15-13(17)5-12-6-14(17)16(8-11)18(15,10-12)2-4-20/h1-4,11-16,19-20H,5-10H2/b3-1+,4-2+
InChIKeyRHIUHCNGUXLKBJ-ZPUQHVIOSA-N
MW304.52 g/mol
LogP4.95
Rot. Bonds2

About (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol

(E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol (PubChem CID 89190372) has the molecular formula C18H24S2 and a molecular weight of 304.52 g/mol. Its IUPAC name is (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol.

Molecular Properties

Compound Name(E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol
PubChem CID89190372
Molecular FormulaC18H24S2
Molecular Weight304.52 g/mol
Exact Mass304.13
IUPAC Name(E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol
SMILESS/C=C/C12CC3CC4C1CC1CC2C(C3)C4(/C=C/S)C1
InChIInChI=1S/C18H24S2/c19-3-1-17-9-11-7-15-13(17)5-12-6-14(17)16(8-11)18(15,10-12)2-4-20/h1-4,11-16,19-20H,5-10H2/b3-1+,4-2+
InChIKeyRHIUHCNGUXLKBJ-ZPUQHVIOSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol?
The IUPAC name of (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol (CID 89190372) is (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol.
What is the SMILES notation for (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol?
The canonical SMILES for (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol is S/C=C/C12CC3CC4C1CC1CC2C(C3)C4(/C=C/S)C1.
What is the InChIKey of (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol?
The InChIKey is RHIUHCNGUXLKBJ-ZPUQHVIOSA-N. The full InChI is InChI=1S/C18H24S2/c19-3-1-17-9-11-7-15-13(17)5-12-6-14(17)16(8-11)18(15,10-12)2-4-20/h1-4,11-16,19-20H,5-10H2/b3-1+,4-2+.
What are the key properties of (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol?
(E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol has a molecular weight of 304.52 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[6-[(E)-2-sulfanylethenyl]-1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethenethiol is sourced from PubChem (CID 89190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).