1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol

C14H26O2S — CID 141332383

IUPAC1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol
SMILESCC=CCCC(O)CSCC(O)CCC=CC
InChIInChI=1S/C14H26O2S/c1-3-5-7-9-13(15)11-17-12-14(16)10-8-6-4-2/h3-6,13-16H,7-12H2,1-2H3
InChIKeySIJWLPDPIPUHKA-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.15
Rot. Bonds10

About 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol

1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol (PubChem CID 141332383) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol
PubChem CID141332383
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol
SMILESCC=CCCC(O)CSCC(O)CCC=CC
InChIInChI=1S/C14H26O2S/c1-3-5-7-9-13(15)11-17-12-14(16)10-8-6-4-2/h3-6,13-16H,7-12H2,1-2H3
InChIKeySIJWLPDPIPUHKA-UHFFFAOYSA-N
XLogP3.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
2-(2-Hydroxypropylthio)-2-pentene
CID 23272782
(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
CID 130930746
4-Propan-2-ylsulfanylhex-5-en-3-ol
CID 134906015
S-(2-hydroxyhex-5-enyl) ethanethioate
CID 19707543
(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122254
(5Z,8Z,11Z,14Z,17Z)-2-propylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122257
(4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 25122614
(5Z,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122635
7-Propylsulfanylhept-1-en-4-ol
CID 57677899
(4E,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492217
(4E,7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492221

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol?
The IUPAC name of 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol (CID 141332383) is 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol.
What is the SMILES notation for 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol?
The canonical SMILES for 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol is CC=CCCC(O)CSCC(O)CCC=CC.
What is the InChIKey of 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol?
The InChIKey is SIJWLPDPIPUHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c1-3-5-7-9-13(15)11-17-12-14(16)10-8-6-4-2/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol?
1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol has a molecular weight of 258.43 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol is sourced from PubChem (CID 141332383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).