3-undec-10-enylsulfanylpropan-1-ol

C14H28OS — CID 71375184

IUPAC3-undec-10-enylsulfanylpropan-1-ol
SMILESC=CCCCCCCCCCSCCCO
InChIInChI=1S/C14H28OS/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15/h2,15H,1,3-14H2
InChIKeyBVQFMXXMEWFNOJ-UHFFFAOYSA-N
MW244.44 g/mol
LogP4.41
Rot. Bonds13

About 3-undec-10-enylsulfanylpropan-1-ol

3-undec-10-enylsulfanylpropan-1-ol (PubChem CID 71375184) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 3-undec-10-enylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-undec-10-enylsulfanylpropan-1-ol
PubChem CID71375184
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name3-undec-10-enylsulfanylpropan-1-ol
SMILESC=CCCCCCCCCCSCCCO
InChIInChI=1S/C14H28OS/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15/h2,15H,1,3-14H2
InChIKeyBVQFMXXMEWFNOJ-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 54.41
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 3-undec-10-enylsulfanylpropan-1-ol?
The IUPAC name of 3-undec-10-enylsulfanylpropan-1-ol (CID 71375184) is 3-undec-10-enylsulfanylpropan-1-ol.
What is the SMILES notation for 3-undec-10-enylsulfanylpropan-1-ol?
The canonical SMILES for 3-undec-10-enylsulfanylpropan-1-ol is C=CCCCCCCCCCSCCCO.
What is the InChIKey of 3-undec-10-enylsulfanylpropan-1-ol?
The InChIKey is BVQFMXXMEWFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15/h2,15H,1,3-14H2.
What are the key properties of 3-undec-10-enylsulfanylpropan-1-ol?
3-undec-10-enylsulfanylpropan-1-ol has a molecular weight of 244.44 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-10-enylsulfanylpropan-1-ol is sourced from PubChem (CID 71375184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).