(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol

C10H16OS — CID 89303417

IUPAC(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol
SMILESC=C/C=C(\CO)S/C=C(\C)CC
InChIInChI=1S/C10H16OS/c1-4-6-10(7-11)12-8-9(3)5-2/h4,6,8,11H,1,5,7H2,2-3H3/b9-8+,10-6+
InChIKeyVUFBPPFTYUKZHA-JSAGYHNASA-N
MW184.30 g/mol
LogP3.10
Rot. Bonds5

About (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol

(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol (PubChem CID 89303417) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol
PubChem CID89303417
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol
SMILESC=C/C=C(\CO)S/C=C(\C)CC
InChIInChI=1S/C10H16OS/c1-4-6-10(7-11)12-8-9(3)5-2/h4,6,8,11H,1,5,7H2,2-3H3/b9-8+,10-6+
InChIKeyVUFBPPFTYUKZHA-JSAGYHNASA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol (CID 89303417) is (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol is C=C/C=C(\CO)S/C=C(\C)CC.
What is the InChIKey of (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol?
The InChIKey is VUFBPPFTYUKZHA-JSAGYHNASA-N. The full InChI is InChI=1S/C10H16OS/c1-4-6-10(7-11)12-8-9(3)5-2/h4,6,8,11H,1,5,7H2,2-3H3/b9-8+,10-6+.
What are the key properties of (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol?
(2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol has a molecular weight of 184.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-2-methylbut-1-enyl]sulfanylpenta-2,4-dien-1-ol is sourced from PubChem (CID 89303417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).