(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol

C14H24S — CID 134354782

IUPAC(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol
SMILESC/C=C\C=C(/C=C\C)C(C)(C)CC(C)S
InChIInChI=1S/C14H24S/c1-6-8-10-13(9-7-2)14(4,5)11-12(3)15/h6-10,12,15H,11H2,1-5H3/b8-6-,9-7-,13-10+
InChIKeyJIPLTIYVKUYSOV-QWCJMGRLSA-N
MW224.41 g/mol
LogP4.80
Rot. Bonds5

About (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol

(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol (PubChem CID 134354782) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol.

Molecular Properties

Compound Name(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol
PubChem CID134354782
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol
SMILESC/C=C\C=C(/C=C\C)C(C)(C)CC(C)S
InChIInChI=1S/C14H24S/c1-6-8-10-13(9-7-2)14(4,5)11-12(3)15/h6-10,12,15H,11H2,1-5H3/b8-6-,9-7-,13-10+
InChIKeyJIPLTIYVKUYSOV-QWCJMGRLSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide
CID 143288493
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
CID 143177152
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
ethane;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532
(2Z,4E,6Z)-4-(3-methylpentan-2-yloxy)octa-2,4,6-triene
CID 143462641
3-methyl-N-propylhepta-3,5-dien-2-amine
CID 123356687
ethane;(2Z,4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)deca-2,4,7-triene
CID 143322922
(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 126629591
(5E,7Z)-5-methylnona-5,7-dien-2-ol
CID 142261527

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol?
The IUPAC name of (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol (CID 134354782) is (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol.
What is the SMILES notation for (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol?
The canonical SMILES for (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol is C/C=C\C=C(/C=C\C)C(C)(C)CC(C)S.
What is the InChIKey of (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol?
The InChIKey is JIPLTIYVKUYSOV-QWCJMGRLSA-N. The full InChI is InChI=1S/C14H24S/c1-6-8-10-13(9-7-2)14(4,5)11-12(3)15/h6-10,12,15H,11H2,1-5H3/b8-6-,9-7-,13-10+.
What are the key properties of (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol?
(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol has a molecular weight of 224.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol is sourced from PubChem (CID 134354782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).