(Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene

C19H36S — CID 89308198

IUPAC(Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene
SMILESC=C(S/C(=C\CCCCCCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H36S/c1-9-10-11-12-13-14-15-17(19(6,7)8)20-16(2)18(3,4)5/h15H,2,9-14H2,1,3-8H3/b17-15-
InChIKeyHEKYSDMVISNPIY-ICFOKQHNSA-N
MW296.56 g/mol
LogP7.57
Rot. Bonds8

About (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene

(Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene (PubChem CID 89308198) has the molecular formula C19H36S and a molecular weight of 296.56 g/mol. Its IUPAC name is (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene.

Molecular Properties

Compound Name(Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene
PubChem CID89308198
Molecular FormulaC19H36S
Molecular Weight296.56 g/mol
Exact Mass296.25
IUPAC Name(Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene
SMILESC=C(S/C(=C\CCCCCCC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H36S/c1-9-10-11-12-13-14-15-17(19(6,7)8)20-16(2)18(3,4)5/h15H,2,9-14H2,1,3-8H3/b17-15-
InChIKeyHEKYSDMVISNPIY-ICFOKQHNSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.56
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-sulfanyltetradec-1-en-1-ol
CID 175360116
(E)-2-iodonon-2-ene
CID 10444893
undec-1-ene-1,1-diol
CID 87556705
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
1,1-dibromotridec-1-ene
CID 14681915
tricos-1-ene-1,1-diamine
CID 141373485
1,1-diiodonon-1-ene
CID 141002826
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
CID 123613644
(E)-2,2-dimethyltetradec-5-en-3-one
CID 59409783
3-methyloctadec-3-ene
CID 91073568
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene?
The IUPAC name of (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene (CID 89308198) is (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene.
What is the SMILES notation for (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene?
The canonical SMILES for (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene is C=C(S/C(=C\CCCCCCC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene?
The InChIKey is HEKYSDMVISNPIY-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H36S/c1-9-10-11-12-13-14-15-17(19(6,7)8)20-16(2)18(3,4)5/h15H,2,9-14H2,1,3-8H3/b17-15-.
What are the key properties of (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene?
(Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene has a molecular weight of 296.56 g/mol, XLogP of 7.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene is sourced from PubChem (CID 89308198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).