(3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol

C17H30OS — CID 171555104

IUPAC(3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol
SMILESC/C=C(C(\C)=C/C(=C(\C)CC)C(O)CSC)/C(C)C
InChIInChI=1S/C17H30OS/c1-8-13(5)16(17(18)11-19-7)10-14(6)15(9-2)12(3)4/h9-10,12,17-18H,8,11H2,1-7H3/b14-10-,15-9-,16-13-
InChIKeyVJOLDZAOIQDAOM-CMZPPSKNSA-N
MW282.49 g/mol
LogP4.99
Rot. Bonds7

About (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol

(3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol (PubChem CID 171555104) has the molecular formula C17H30OS and a molecular weight of 282.49 g/mol. Its IUPAC name is (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol.

Molecular Properties

Compound Name(3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol
PubChem CID171555104
Molecular FormulaC17H30OS
Molecular Weight282.49 g/mol
Exact Mass282.20
IUPAC Name(3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol
SMILESC/C=C(C(\C)=C/C(=C(\C)CC)C(O)CSC)/C(C)C
InChIInChI=1S/C17H30OS/c1-8-13(5)16(17(18)11-19-7)10-14(6)15(9-2)12(3)4/h9-10,12,17-18H,8,11H2,1-7H3/b14-10-,15-9-,16-13-
InChIKeyVJOLDZAOIQDAOM-CMZPPSKNSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-Trimethyl-6-(2,4,4-trimethylpentan-2-ylsulfanylmethyl)cyclohexa-2,4-dien-1-ol
CID 17770011
6-(6-Hydroxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-2,6-dimethylcyclohexa-2,4-dien-1-ol
CID 20434184
(4E)-4-ethenyl-2-methyl-2-(thiolan-1-ium-1-yl)hepta-4,6-dien-3-ol
CID 58205897
(4E)-2-butylsulfanyl-4-ethenyl-2-methylhepta-4,6-dien-3-ol
CID 118052443
6-Methyl-2,4-bis(octylsulfanylmethyl)cyclohexa-2,4-dien-1-ol
CID 123221666
(3Z,5E)-3-tert-butyl-8,8-dimethyl-5-methylsulfanylnona-3,5-dien-2-ol
CID 134526686
4-Methyl-1-(3-methylhexan-3-ylsulfanyl)hex-4-en-3-ol
CID 137545736
3-Methyl-5-[(2-methyl-5-propan-2-ylcyclopent-3-en-1-yl)methylsulfanyl]cyclohexa-2,4-dien-1-ol
CID 139472256
2-Methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 141287824
2,4-Ditert-butyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 141496153
2-Methyl-6-(octan-2-ylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 175018694
(2S,3R)-5-methyl-3-(methylsulfanylmethyl)hex-4-en-2-ol
CID 11805246

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol?
The IUPAC name of (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol (CID 171555104) is (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol.
What is the SMILES notation for (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol?
The canonical SMILES for (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol is C/C=C(C(\C)=C/C(=C(\C)CC)C(O)CSC)/C(C)C.
What is the InChIKey of (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol?
The InChIKey is VJOLDZAOIQDAOM-CMZPPSKNSA-N. The full InChI is InChI=1S/C17H30OS/c1-8-13(5)16(17(18)11-19-7)10-14(6)15(9-2)12(3)4/h9-10,12,17-18H,8,11H2,1-7H3/b14-10-,15-9-,16-13-.
What are the key properties of (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol?
(3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol has a molecular weight of 282.49 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z,6Z)-3-butan-2-ylidene-5-methyl-1-methylsulfanyl-6-propan-2-ylocta-4,6-dien-2-ol is sourced from PubChem (CID 171555104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).