2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol

C12H24OS — CID 123332822

IUPAC2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol
SMILESCCCSC(C)(CO)CCC=C(C)C
InChIInChI=1S/C12H24OS/c1-5-9-14-12(4,10-13)8-6-7-11(2)3/h7,13H,5-6,8-10H2,1-4H3
InChIKeyNUNXLNNGGRCVAN-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.63
Rot. Bonds7

About 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol

2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol (PubChem CID 123332822) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol.

Molecular Properties

Compound Name2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol
PubChem CID123332822
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol
SMILESCCCSC(C)(CO)CCC=C(C)C
InChIInChI=1S/C12H24OS/c1-5-9-14-12(4,10-13)8-6-7-11(2)3/h7,13H,5-6,8-10H2,1-4H3
InChIKeyNUNXLNNGGRCVAN-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
2-(3,7-dimethyl-1-oxooct-6-en-3-yl)sulfanylacetic acid
CID 118437193
ethane;2-methyl-5-propylsulfanylpent-2-ene
CID 143651282
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
4,4,8-trimethylnon-7-enal
CID 121006941
(3R)-3-butyl-3,7-dimethyloct-6-enal
CID 132528865
2-(hydroxymethyl)-2-propylsulfanylpropane-1,3-diol
CID 13136534
2-[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]sulfanylethanol
CID 166441704
2,7-dimethyloct-6-ene-1,2-diol
CID 10654785
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
CID 139888264
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol?
The IUPAC name of 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol (CID 123332822) is 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol.
What is the SMILES notation for 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol?
The canonical SMILES for 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol is CCCSC(C)(CO)CCC=C(C)C.
What is the InChIKey of 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol?
The InChIKey is NUNXLNNGGRCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-5-9-14-12(4,10-13)8-6-7-11(2)3/h7,13H,5-6,8-10H2,1-4H3.
What are the key properties of 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol?
2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol has a molecular weight of 216.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol is sourced from PubChem (CID 123332822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).