4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol

C14H24OS — CID 123311410

IUPAC4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol
SMILESC=CC=C(C=CCC(C)C)SCCCCO
InChIInChI=1S/C14H24OS/c1-4-8-14(10-7-9-13(2)3)16-12-6-5-11-15/h4,7-8,10,13,15H,1,5-6,9,11-12H2,2-3H3
InChIKeyGCMGJSFIZVAZLL-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.16
Rot. Bonds9

About 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol

4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol (PubChem CID 123311410) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol
PubChem CID123311410
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol
SMILESC=CC=C(C=CCC(C)C)SCCCCO
InChIInChI=1S/C14H24OS/c1-4-8-14(10-7-9-13(2)3)16-12-6-5-11-15/h4,7-8,10,13,15H,1,5-6,9,11-12H2,2-3H3
InChIKeyGCMGJSFIZVAZLL-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol
CID 134886835
(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol
CID 10632539
(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122254
(4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 25122614
(4E,7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492221
(4E,8Z,11Z,14Z,17Z)-2-propylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 59492229
(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492252
(4Z,7Z)-2-methyl-2-methylsulfanyldeca-4,7-dien-1-ol
CID 59931985
(1-Methylsulfanylcyclohexa-2,4-dien-1-yl)methanol
CID 69980558
2-Propylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 72306444
2-Propylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 72306450
2-(Pentylsulfanylmethyl)pent-4-en-1-ol
CID 87937090

Frequently Asked Questions

What is the IUPAC name of 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol?
The IUPAC name of 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol (CID 123311410) is 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol?
The canonical SMILES for 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol is C=CC=C(C=CCC(C)C)SCCCCO.
What is the InChIKey of 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol?
The InChIKey is GCMGJSFIZVAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-4-8-14(10-7-9-13(2)3)16-12-6-5-11-15/h4,7-8,10,13,15H,1,5-6,9,11-12H2,2-3H3.
What are the key properties of 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol?
4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol has a molecular weight of 240.41 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 123311410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).