5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol

C14H22OS — CID 123978448

IUPAC5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
SMILESC=C(C)C(C=C(CO)SC)=C(C)C=C(C)C
InChIInChI=1S/C14H22OS/c1-10(2)7-12(5)14(11(3)4)8-13(9-15)16-6/h7-8,15H,3,9H2,1-2,4-6H3
InChIKeySGDAYGWYAMORAI-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.08
Rot. Bonds5

About 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol

5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol (PubChem CID 123978448) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
PubChem CID123978448
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
SMILESC=C(C)C(C=C(CO)SC)=C(C)C=C(C)C
InChIInChI=1S/C14H22OS/c1-10(2)7-12(5)14(11(3)4)8-13(9-15)16-6/h7-8,15H,3,9H2,1-2,4-6H3
InChIKeySGDAYGWYAMORAI-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
CID 88874029
CID 88874029
(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol
CID 89303417
(Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol
CID 89416532
(3-ethyl-4H-thiopyran-2-yl)methanol
CID 123493537
3,7-Dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 123680401
(5Z)-1-methyl-4-methylidene-5-(1-methylsulfanylethylidene)cyclohepta-2,6-dien-1-ol
CID 141809851
(2Z)-2-[(6Z)-6-[(Z)-but-2-enylidene]-2-sulfanylcyclohexa-2,4-dien-1-ylidene]ethanol;ethane
CID 142113440
Ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 143175775
2-[(2E,4Z)-5-methylhepta-2,4-dien-2-yl]sulfanylethanol
CID 143477948
(3-Methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol
CID 144526898

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol?
The IUPAC name of 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol (CID 123978448) is 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol.
What is the SMILES notation for 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol?
The canonical SMILES for 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol is C=C(C)C(C=C(CO)SC)=C(C)C=C(C)C.
What is the InChIKey of 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol?
The InChIKey is SGDAYGWYAMORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-10(2)7-12(5)14(11(3)4)8-13(9-15)16-6/h7-8,15H,3,9H2,1-2,4-6H3.
What are the key properties of 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol?
5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol has a molecular weight of 238.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol is sourced from PubChem (CID 123978448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).