(Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol

C11H16OS — CID 89416532

IUPAC(Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol
SMILESC=C/C=C\C(=C)S/C(=C\CC)CO
InChIInChI=1S/C11H16OS/c1-4-6-8-10(3)13-11(9-12)7-5-2/h4,6-8,12H,1,3,5,9H2,2H3/b8-6-,11-7-
InChIKeyXBPQCSUECPRLTG-NFNKYSHCSA-N
MW196.31 g/mol
LogP3.26
Rot. Bonds6

About (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol

(Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol (PubChem CID 89416532) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol
PubChem CID89416532
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol
SMILESC=C/C=C\C(=C)S/C(=C\CC)CO
InChIInChI=1S/C11H16OS/c1-4-6-8-10(3)13-11(9-12)7-5-2/h4,6-8,12H,1,3,5,9H2,2H3/b8-6-,11-7-
InChIKeyXBPQCSUECPRLTG-NFNKYSHCSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.26
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

Deca-2,4,7-trien-1-ol
CID 71351026
(2E,4Z,7Z)-deca-2,4,7-trien-1-ol
CID 11116243
(2E,4E,7Z)-deca-2,4,7-trien-1-ol
CID 11126463
5,7-Dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
CID 123978448
7-[(1Z,3Z,5Z)-1-hydroxyhepta-1,3,5-trien-2-yl]sulfanylcyclohepta-1,3,6-triene-1,3-diol
CID 134201548
ethane;(E)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfanylbut-2-en-1-ol
CID 142005760
(E)-2-[(Z)-prop-1-enyl]sulfanylpent-2-en-1-ol
CID 143392763
ethane;(2E,4Z)-2-[(3Z)-5-hydroxyhexa-1,3,5-trien-2-yl]sulfanylhexa-2,4-dien-1-ol
CID 143605936
(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol
CID 14364618
(2E,4E,7E)-deca-2,4,7-trien-1-ol
CID 22251171
(2-Tert-butylsulfanylcyclopenta-1,4-dien-1-yl)methanol
CID 137231065
(E)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfanylbut-2-en-1-ol
CID 142005761

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol?
The IUPAC name of (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol (CID 89416532) is (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol.
What is the SMILES notation for (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol?
The canonical SMILES for (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol is C=C/C=C\C(=C)S/C(=C\CC)CO.
What is the InChIKey of (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol?
The InChIKey is XBPQCSUECPRLTG-NFNKYSHCSA-N. The full InChI is InChI=1S/C11H16OS/c1-4-6-8-10(3)13-11(9-12)7-5-2/h4,6-8,12H,1,3,5,9H2,2H3/b8-6-,11-7-.
What are the key properties of (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol?
(Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol has a molecular weight of 196.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3Z)-hexa-1,3,5-trien-2-yl]sulfanylpent-2-en-1-ol is sourced from PubChem (CID 89416532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).