5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol

C18H26OS — CID 134884875

IUPAC5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol
SMILESCCCCC(O)(C#CCSc1ccccc1)CCCC
InChIInChI=1S/C18H26OS/c1-3-5-13-18(19,14-6-4-2)15-10-16-20-17-11-8-7-9-12-17/h7-9,11-12,19H,3-6,13-14,16H2,1-2H3
InChIKeyHOKFXHHNAAEODP-UHFFFAOYSA-N
MW290.47 g/mol
LogP4.89
Rot. Bonds8

About 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol

5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol (PubChem CID 134884875) has the molecular formula C18H26OS and a molecular weight of 290.47 g/mol. Its IUPAC name is 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol.

Molecular Properties

Compound Name5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol
PubChem CID134884875
Molecular FormulaC18H26OS
Molecular Weight290.47 g/mol
Exact Mass290.17
IUPAC Name5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol
SMILESCCCCC(O)(C#CCSc1ccccc1)CCCC
InChIInChI=1S/C18H26OS/c1-3-5-13-18(19,14-6-4-2)15-10-16-20-17-11-8-7-9-12-17/h7-9,11-12,19H,3-6,13-14,16H2,1-2H3
InChIKeyHOKFXHHNAAEODP-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
Cyclohexanol, 1-[1,1-bis(phenylthio)propyl]-
CID 12299362
cis-(1R,2R)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 12700273
2-Methyl-1-(4-methylphenyl)sulfanylpropan-2-ol
CID 60879363
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
4-(4-Decylsulfanyl-3-fluorophenyl)-2-methylbut-3-yn-2-ol
CID 19050488
2-Methyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
CID 329395
1-(2-Phenylsulfanylethynyl)cyclohexan-1-ol
CID 10263362

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol?
The IUPAC name of 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol (CID 134884875) is 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol.
What is the SMILES notation for 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol?
The canonical SMILES for 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol is CCCCC(O)(C#CCSc1ccccc1)CCCC.
What is the InChIKey of 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol?
The InChIKey is HOKFXHHNAAEODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OS/c1-3-5-13-18(19,14-6-4-2)15-10-16-20-17-11-8-7-9-12-17/h7-9,11-12,19H,3-6,13-14,16H2,1-2H3.
What are the key properties of 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol?
5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol has a molecular weight of 290.47 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylsulfanylprop-1-ynyl)nonan-5-ol is sourced from PubChem (CID 134884875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).