(E)-9-phenylsulfanyldodec-10-en-1-ol

C18H28OS — CID 24974051

IUPAC(E)-9-phenylsulfanyldodec-10-en-1-ol
SMILESC/C=C/C(CCCCCCCCO)Sc1ccccc1
InChIInChI=1S/C18H28OS/c1-2-12-17(20-18-14-9-7-10-15-18)13-8-5-3-4-6-11-16-19/h2,7,9-10,12,14-15,17,19H,3-6,8,11,13,16H2,1H3/b12-2+
InChIKeyQZZZWWVAHZIWRQ-SWGQDTFXSA-N
MW292.49 g/mol
LogP5.45
Rot. Bonds11

About (E)-9-phenylsulfanyldodec-10-en-1-ol

(E)-9-phenylsulfanyldodec-10-en-1-ol (PubChem CID 24974051) has the molecular formula C18H28OS and a molecular weight of 292.49 g/mol. Its IUPAC name is (E)-9-phenylsulfanyldodec-10-en-1-ol.

Molecular Properties

Compound Name(E)-9-phenylsulfanyldodec-10-en-1-ol
PubChem CID24974051
Molecular FormulaC18H28OS
Molecular Weight292.49 g/mol
Exact Mass292.19
IUPAC Name(E)-9-phenylsulfanyldodec-10-en-1-ol
SMILESC/C=C/C(CCCCCCCCO)Sc1ccccc1
InChIInChI=1S/C18H28OS/c1-2-12-17(20-18-14-9-7-10-15-18)13-8-5-3-4-6-11-16-19/h2,7,9-10,12,14-15,17,19H,3-6,8,11,13,16H2,1H3/b12-2+
InChIKeyQZZZWWVAHZIWRQ-SWGQDTFXSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-9-phenylsulfanyldodec-10-en-1-ol?
The IUPAC name of (E)-9-phenylsulfanyldodec-10-en-1-ol (CID 24974051) is (E)-9-phenylsulfanyldodec-10-en-1-ol.
What is the SMILES notation for (E)-9-phenylsulfanyldodec-10-en-1-ol?
The canonical SMILES for (E)-9-phenylsulfanyldodec-10-en-1-ol is C/C=C/C(CCCCCCCCO)Sc1ccccc1.
What is the InChIKey of (E)-9-phenylsulfanyldodec-10-en-1-ol?
The InChIKey is QZZZWWVAHZIWRQ-SWGQDTFXSA-N. The full InChI is InChI=1S/C18H28OS/c1-2-12-17(20-18-14-9-7-10-15-18)13-8-5-3-4-6-11-16-19/h2,7,9-10,12,14-15,17,19H,3-6,8,11,13,16H2,1H3/b12-2+.
What are the key properties of (E)-9-phenylsulfanyldodec-10-en-1-ol?
(E)-9-phenylsulfanyldodec-10-en-1-ol has a molecular weight of 292.49 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-phenylsulfanyldodec-10-en-1-ol is sourced from PubChem (CID 24974051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).