(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene

C13H22 — CID 176966734

IUPAC(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
SMILESC=C(/C(C)=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C13H22/c1-10(2)8-9-11(3)12(4)13(5,6)7/h8-9H,4H2,1-3,5-7H3/b11-9-
InChIKeyUGVGTSCBTZDDDI-LUAWRHEFSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds2

About (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene

(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene (PubChem CID 176966734) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Name(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
PubChem CID176966734
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
SMILESC=C(/C(C)=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C13H22/c1-10(2)8-9-11(3)12(4)13(5,6)7/h8-9H,4H2,1-3,5-7H3/b11-9-
InChIKeyUGVGTSCBTZDDDI-LUAWRHEFSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
CID 176966733
(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine
CID 170123214
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine
CID 166786271
(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one
CID 100994189
3,6,6-trimethyl-5-methylidenehept-3-en-2-one
CID 123799744
(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene
CID 166121568
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
bis(3,3-dimethyl-2-methylidenebutanoate);iron(2+)
CID 175333497
(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
CID 137466995
(2E,4Z)-5,7-dimethyl-6-methylidene-7-phenylocta-2,4-diene-2-thiol
CID 139398032
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
The IUPAC name of (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene (CID 176966734) is (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene.
What is the SMILES notation for (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
The canonical SMILES for (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene is C=C(/C(C)=C\C=C(C)C)C(C)(C)C.
What is the InChIKey of (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
The InChIKey is UGVGTSCBTZDDDI-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H22/c1-10(2)8-9-11(3)12(4)13(5,6)7/h8-9H,4H2,1-3,5-7H3/b11-9-.
What are the key properties of (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene is sourced from PubChem (CID 176966734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).