(3Z,5E)-5-propylsulfanylnona-3,5-diene

C12H22S — CID 129267420

IUPAC(3Z,5E)-5-propylsulfanylnona-3,5-diene
SMILESCC/C=C\C(=C/CCC)SCCC
InChIInChI=1S/C12H22S/c1-4-7-9-12(10-8-5-2)13-11-6-3/h7,9-10H,4-6,8,11H2,1-3H3/b9-7-,12-10+
InChIKeyQMQMYHWOLCVQLM-LBTWLYDDSA-N
MW198.37 g/mol
LogP4.78
Rot. Bonds7

About (3Z,5E)-5-propylsulfanylnona-3,5-diene

(3Z,5E)-5-propylsulfanylnona-3,5-diene (PubChem CID 129267420) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is (3Z,5E)-5-propylsulfanylnona-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-5-propylsulfanylnona-3,5-diene
PubChem CID129267420
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name(3Z,5E)-5-propylsulfanylnona-3,5-diene
SMILESCC/C=C\C(=C/CCC)SCCC
InChIInChI=1S/C12H22S/c1-4-7-9-12(10-8-5-2)13-11-6-3/h7,9-10H,4-6,8,11H2,1-3H3/b9-7-,12-10+
InChIKeyQMQMYHWOLCVQLM-LBTWLYDDSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nona-3,5-dien-5-amine
CID 173041910
(Z)-N-methyl-1-propylsulfanylpent-1-en-1-amine
CID 163658089
4-[(3Z,5Z)-nona-3,5-dien-5-yl]pyridine
CID 97114967
4-[(3Z,5E)-nona-3,5-dien-5-yl]pyridine
CID 97114966
(3Z,5E)-5-nitronona-3,5-diene
CID 163823768
(3E,5E,7E)-5-ethyl-7-methylundeca-3,5,7-triene
CID 56936064
(3E,6Z)-3-propylsulfanylocta-1,3,6-triene
CID 143350458
(1E,3E)-1-methylsulfanyl-1-propylsulfanylhexa-1,3-diene
CID 139386659
methyl [(3Z,5E)-nona-3,5-dien-5-yl] carbonate
CID 143778595
2-butylsulfanylhex-2-ene
CID 71441650
(2Z,4E)-4-methylocta-2,4-dien-1-amine
CID 55285493
bis(propylsulfanyl)methanone
CID 536266

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-propylsulfanylnona-3,5-diene?
The IUPAC name of (3Z,5E)-5-propylsulfanylnona-3,5-diene (CID 129267420) is (3Z,5E)-5-propylsulfanylnona-3,5-diene.
What is the SMILES notation for (3Z,5E)-5-propylsulfanylnona-3,5-diene?
The canonical SMILES for (3Z,5E)-5-propylsulfanylnona-3,5-diene is CC/C=C\C(=C/CCC)SCCC.
What is the InChIKey of (3Z,5E)-5-propylsulfanylnona-3,5-diene?
The InChIKey is QMQMYHWOLCVQLM-LBTWLYDDSA-N. The full InChI is InChI=1S/C12H22S/c1-4-7-9-12(10-8-5-2)13-11-6-3/h7,9-10H,4-6,8,11H2,1-3H3/b9-7-,12-10+.
What are the key properties of (3Z,5E)-5-propylsulfanylnona-3,5-diene?
(3Z,5E)-5-propylsulfanylnona-3,5-diene has a molecular weight of 198.37 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-propylsulfanylnona-3,5-diene is sourced from PubChem (CID 129267420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).