(7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene

C19H32S — CID 89240539

IUPAC(7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene
SMILESC=CCC(C=C)C(C/C=C\C)CC(C)C(C)SC(=C)C
InChIInChI=1S/C19H32S/c1-8-11-13-19(18(10-3)12-9-2)14-16(6)17(7)20-15(4)5/h8-11,16-19H,2-4,12-14H2,1,5-7H3/b11-8-
InChIKeyNIQRRCVQMREKFT-FLIBITNWSA-N
MW292.53 g/mol
LogP6.63
Rot. Bonds11

About (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene

(7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene (PubChem CID 89240539) has the molecular formula C19H32S and a molecular weight of 292.53 g/mol. Its IUPAC name is (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene.

Molecular Properties

Compound Name(7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene
PubChem CID89240539
Molecular FormulaC19H32S
Molecular Weight292.53 g/mol
Exact Mass292.22
IUPAC Name(7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene
SMILESC=CCC(C=C)C(C/C=C\C)CC(C)C(C)SC(=C)C
InChIInChI=1S/C19H32S/c1-8-11-13-19(18(10-3)12-9-2)14-16(6)17(7)20-15(4)5/h8-11,16-19H,2-4,12-14H2,1,5-7H3/b11-8-
InChIKeyNIQRRCVQMREKFT-FLIBITNWSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.53
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene?
The IUPAC name of (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene (CID 89240539) is (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene.
What is the SMILES notation for (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene?
The canonical SMILES for (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene is C=CCC(C=C)C(C/C=C\C)CC(C)C(C)SC(=C)C.
What is the InChIKey of (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene?
The InChIKey is NIQRRCVQMREKFT-FLIBITNWSA-N. The full InChI is InChI=1S/C19H32S/c1-8-11-13-19(18(10-3)12-9-2)14-16(6)17(7)20-15(4)5/h8-11,16-19H,2-4,12-14H2,1,5-7H3/b11-8-.
What are the key properties of (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene?
(7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene has a molecular weight of 292.53 g/mol, XLogP of 6.63, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-4-ethenyl-5-(2-methyl-3-prop-1-en-2-ylsulfanylbutyl)nona-1,7-diene is sourced from PubChem (CID 89240539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).