ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol

C12H24OS — CID 143267514

IUPACethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
SMILESC=C/C=C(/CC(O)CCC)SC.CC
InChIInChI=1S/C10H18OS.C2H6/c1-4-6-9(11)8-10(12-3)7-5-2;1-2/h5,7,9,11H,2,4,6,8H2,1,3H3;1-2H3/b10-7-;
InChIKeyCPBWULFXRQXIBH-VEZAGKLZSA-N
MW216.39 g/mol
LogP4.00
Rot. Bonds6

About ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol

ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol (PubChem CID 143267514) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol.

Molecular Properties

Compound Nameethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
PubChem CID143267514
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Nameethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
SMILESC=C/C=C(/CC(O)CCC)SC.CC
InChIInChI=1S/C10H18OS.C2H6/c1-4-6-9(11)8-10(12-3)7-5-2;1-2/h5,7,9,11H,2,4,6,8H2,1,3H3;1-2H3/b10-7-;
InChIKeyCPBWULFXRQXIBH-VEZAGKLZSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Yuzuol
CID 25033443
6-Nonadienol
CID 15579177
Undeca-6,8,10-trien-4-ol
CID 73885450
(z)-6-Nonadienol
CID 87169956
(6e,8e)-6,8,10-Undecatrien-4-ol
CID 22404510
(6z,8e)-6,8,10-Undecatrien-4-ol
CID 91753293
(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
CID 130930746
Nona-6,8-dien-4-ol
CID 56621506
7-Propylsulfanylhept-1-en-4-ol
CID 57677899
(6E,8E,10E)-dodeca-6,8,10-trien-4-ol
CID 87376875
(4S,6E)-nona-6,8-dien-4-ol
CID 87416285
4-Methylsulfanylcyclohex-3-en-1-ol
CID 89484285

Frequently Asked Questions

What is the IUPAC name of ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
The IUPAC name of ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol (CID 143267514) is ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol.
What is the SMILES notation for ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
The canonical SMILES for ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol is C=C/C=C(/CC(O)CCC)SC.CC.
What is the InChIKey of ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
The InChIKey is CPBWULFXRQXIBH-VEZAGKLZSA-N. The full InChI is InChI=1S/C10H18OS.C2H6/c1-4-6-9(11)8-10(12-3)7-5-2;1-2/h5,7,9,11H,2,4,6,8H2,1,3H3;1-2H3/b10-7-;.
What are the key properties of ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol has a molecular weight of 216.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6Z)-6-methylsulfanylnona-6,8-dien-4-ol is sourced from PubChem (CID 143267514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).