3-methylsulfanylocta-3,4-dien-1-ol

C9H16OS — CID 44719800

IUPAC3-methylsulfanylocta-3,4-dien-1-ol
SMILESCCCC=C=C(CCO)SC
InChIInChI=1S/C9H16OS/c1-3-4-5-6-9(11-2)7-8-10/h5,10H,3-4,7-8H2,1-2H3
InChIKeyCSFSQHAOVJERNL-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.57
Rot. Bonds5

About 3-methylsulfanylocta-3,4-dien-1-ol

3-methylsulfanylocta-3,4-dien-1-ol (PubChem CID 44719800) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-methylsulfanylocta-3,4-dien-1-ol.

Molecular Properties

Compound Name3-methylsulfanylocta-3,4-dien-1-ol
PubChem CID44719800
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name3-methylsulfanylocta-3,4-dien-1-ol
SMILESCCCC=C=C(CCO)SC
InChIInChI=1S/C9H16OS/c1-3-4-5-6-9(11-2)7-8-10/h5,10H,3-4,7-8H2,1-2H3
InChIKeyCSFSQHAOVJERNL-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylocta-1,3,4-triene
CID 176714902
5-methylundeca-3,4-dien-1-ol
CID 71664600
deca-5,6-dien-5-yl(ethoxy)phosphinic acid
CID 25214089
ethyl 2-butylhepta-2,3-dienoate
CID 134898007
2-methylocta-2,3,4-triene
CID 11819084
2,2-dimethylocta-3,4-dien-1-ol
CID 14977612
hexa-1,5-diene;propane;propan-1-ol
CID 145351847
azane;pent-1-en-1-imine
CID 87315342
non-5-en-2-yn-1-ol
CID 57194533
(Z)-4-methylsulfanylbut-3-en-1-ol
CID 143469331
3-methylsulfanylpenta-1,2-diene
CID 119097771
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylocta-3,4-dien-1-ol?
The IUPAC name of 3-methylsulfanylocta-3,4-dien-1-ol (CID 44719800) is 3-methylsulfanylocta-3,4-dien-1-ol.
What is the SMILES notation for 3-methylsulfanylocta-3,4-dien-1-ol?
The canonical SMILES for 3-methylsulfanylocta-3,4-dien-1-ol is CCCC=C=C(CCO)SC.
What is the InChIKey of 3-methylsulfanylocta-3,4-dien-1-ol?
The InChIKey is CSFSQHAOVJERNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-4-5-6-9(11-2)7-8-10/h5,10H,3-4,7-8H2,1-2H3.
What are the key properties of 3-methylsulfanylocta-3,4-dien-1-ol?
3-methylsulfanylocta-3,4-dien-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylocta-3,4-dien-1-ol is sourced from PubChem (CID 44719800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).