2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene

C14H24S — CID 123259234

IUPAC2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(C=CC(=C)C(C)(C)C)SC(C)(C)C
InChIInChI=1S/C14H24S/c1-11(13(3,4)5)9-10-12(2)15-14(6,7)8/h9-10H,1-2H2,3-8H3
InChIKeyMHFKKWMWZLRTPM-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.19
Rot. Bonds3

About 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene

2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene (PubChem CID 123259234) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene
PubChem CID123259234
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(C=CC(=C)C(C)(C)C)SC(C)(C)C
InChIInChI=1S/C14H24S/c1-11(13(3,4)5)9-10-12(2)15-14(6,7)8/h9-10H,1-2H2,3-8H3
InChIKeyMHFKKWMWZLRTPM-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
CID 5463033
(Z)-N,2,2,7,7-pentamethyl-6-methylideneoct-4-en-3-imine
CID 169243501
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
3,3-dimethylbut-1-en-2-amine
CID 15393104
(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one
CID 91607880
(3E,5Z)-3-tert-butyl-4-(2-tert-butylsulfanylprop-2-enyl)hepta-1,3,5-triene
CID 134232876
(E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene
CID 14912182
2-(3-ethylidene-7,7-dimethyl-6-methylideneocta-1,4-dien-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123982992
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
CID 144514446
3,6,6-trimethyl-5-methylidenehept-3-en-2-one
CID 123799744

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The IUPAC name of 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene (CID 123259234) is 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene is C=C(C=CC(=C)C(C)(C)C)SC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The InChIKey is MHFKKWMWZLRTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-11(13(3,4)5)9-10-12(2)15-14(6,7)8/h9-10H,1-2H2,3-8H3.
What are the key properties of 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene?
2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene has a molecular weight of 224.41 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 123259234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).