(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol

C12H22OS — CID 59931985

IUPAC(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol
SMILESCC/C=C\C/C=C\CC(C)(CO)SC
InChIInChI=1S/C12H22OS/c1-4-5-6-7-8-9-10-12(2,11-13)14-3/h5-6,8-9,13H,4,7,10-11H2,1-3H3/b6-5-,9-8-
InChIKeyWJYIJPGMXXJHRE-AFJQJTPPSA-N
MW214.37 g/mol
LogP3.40
Rot. Bonds7

About (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol

(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol (PubChem CID 59931985) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol.

Molecular Properties

Compound Name(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol
PubChem CID59931985
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol
SMILESCC/C=C\C/C=C\CC(C)(CO)SC
InChIInChI=1S/C12H22OS/c1-4-5-6-7-8-9-10-12(2,11-13)14-3/h5-6,8-9,13H,4,7,10-11H2,1-3H3/b6-5-,9-8-
InChIKeyWJYIJPGMXXJHRE-AFJQJTPPSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol
CID 10632539
(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122254
(4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 25122614
(4E,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492217
(4E,7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492221
(4E,8Z,11Z,14Z,17Z)-2-propylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 59492229
(4E,8Z,11Z,14Z,17Z)-2-methylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 59492233
(5Z,8Z,11Z,14Z,17Z)-2-methylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 59492246
(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492252
(4Z,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492267
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]sulfanylbutan-1-ol
CID 59565825
(3Z,6Z)-10-methoxy-9-methyl-9-methylsulfanyldeca-3,6-diene
CID 59931986

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol?
The IUPAC name of (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol (CID 59931985) is (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol.
What is the SMILES notation for (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol?
The canonical SMILES for (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol is CC/C=C\C/C=C\CC(C)(CO)SC.
What is the InChIKey of (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol?
The InChIKey is WJYIJPGMXXJHRE-AFJQJTPPSA-N. The full InChI is InChI=1S/C12H22OS/c1-4-5-6-7-8-9-10-12(2,11-13)14-3/h5-6,8-9,13H,4,7,10-11H2,1-3H3/b6-5-,9-8-.
What are the key properties of (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol?
(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol has a molecular weight of 214.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol is sourced from PubChem (CID 59931985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).