(Z)-3-thiophen-2-yldodec-2-en-4-ol

C16H26OS — CID 177436635

IUPAC(Z)-3-thiophen-2-yldodec-2-en-4-ol
SMILESC/C=C(\c1cccs1)C(O)CCCCCCCC
InChIInChI=1S/C16H26OS/c1-3-5-6-7-8-9-11-15(17)14(4-2)16-12-10-13-18-16/h4,10,12-13,15,17H,3,5-9,11H2,1-2H3/b14-4-
InChIKeyBDIRWWNINYBAKZ-CPSFFCFKSA-N
MW266.45 g/mol
LogP5.26
Rot. Bonds9

About (Z)-3-thiophen-2-yldodec-2-en-4-ol

(Z)-3-thiophen-2-yldodec-2-en-4-ol (PubChem CID 177436635) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is (Z)-3-thiophen-2-yldodec-2-en-4-ol.

Molecular Properties

Compound Name(Z)-3-thiophen-2-yldodec-2-en-4-ol
PubChem CID177436635
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name(Z)-3-thiophen-2-yldodec-2-en-4-ol
SMILESC/C=C(\c1cccs1)C(O)CCCCCCCC
InChIInChI=1S/C16H26OS/c1-3-5-6-7-8-9-11-15(17)14(4-2)16-12-10-13-18-16/h4,10,12-13,15,17H,3,5-9,11H2,1-2H3/b14-4-
InChIKeyBDIRWWNINYBAKZ-CPSFFCFKSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-2-yltridecan-2-amine
CID 65428259
2-tetradecan-7-ylthiophene
CID 137450901
2-heptadecan-5-ylthiophene
CID 19734009
2-(2-butyloctyl)thiophene
CID 66609412
2,3-dibutyl-1,4-dithiophen-2-ylbutane-1,4-dione
CID 3628681
1-thiophen-2-yloctan-1-amine
CID 22115201
1-thiophen-2-ylundecan-1-amine
CID 63414388
2-(1-bromononyl)thiophene
CID 65427153
2-[(E)-2-methyloct-3-en-4-yl]thiophene
CID 146324336
2-methyl-1-thiophen-2-yldecane-1,3-dione
CID 61333341
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009

Frequently Asked Questions

What is the IUPAC name of (Z)-3-thiophen-2-yldodec-2-en-4-ol?
The IUPAC name of (Z)-3-thiophen-2-yldodec-2-en-4-ol (CID 177436635) is (Z)-3-thiophen-2-yldodec-2-en-4-ol.
What is the SMILES notation for (Z)-3-thiophen-2-yldodec-2-en-4-ol?
The canonical SMILES for (Z)-3-thiophen-2-yldodec-2-en-4-ol is C/C=C(\c1cccs1)C(O)CCCCCCCC.
What is the InChIKey of (Z)-3-thiophen-2-yldodec-2-en-4-ol?
The InChIKey is BDIRWWNINYBAKZ-CPSFFCFKSA-N. The full InChI is InChI=1S/C16H26OS/c1-3-5-6-7-8-9-11-15(17)14(4-2)16-12-10-13-18-16/h4,10,12-13,15,17H,3,5-9,11H2,1-2H3/b14-4-.
What are the key properties of (Z)-3-thiophen-2-yldodec-2-en-4-ol?
(Z)-3-thiophen-2-yldodec-2-en-4-ol has a molecular weight of 266.45 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-thiophen-2-yldodec-2-en-4-ol is sourced from PubChem (CID 177436635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).