(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene

C12H22 — CID 144514446

IUPAC(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
SMILESC=C(/C=C(\C)C(C)C)C(C)(C)C
InChIInChI=1S/C12H22/c1-9(2)10(3)8-11(4)12(5,6)7/h8-9H,4H2,1-3,5-7H3/b10-8+
InChIKeyATXWCUIGPLNFBM-CSKARUKUSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds2

About (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene

(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene (PubChem CID 144514446) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene.

Molecular Properties

Compound Name(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
PubChem CID144514446
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
SMILESC=C(/C=C(\C)C(C)C)C(C)(C)C
InChIInChI=1S/C12H22/c1-9(2)10(3)8-11(4)12(5,6)7/h8-9H,4H2,1-3,5-7H3/b10-8+
InChIKeyATXWCUIGPLNFBM-CSKARUKUSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
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

(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
(3Z,5E)-3,4,6,7-tetramethylocta-1,3,5-triene
CID 178040124
3,6,6-trimethyl-5-methylidenehept-3-en-2-one
CID 123799744
(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 134604866
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
2,3,5,6,6-pentamethylhept-3-ene
CID 76726619
(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
CID 130346405
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
CID 167471626
(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine
CID 139474050
(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
CID 5463033
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238

Frequently Asked Questions

What is the IUPAC name of (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene?
The IUPAC name of (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene (CID 144514446) is (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene.
What is the SMILES notation for (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene?
The canonical SMILES for (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene is C=C(/C=C(\C)C(C)C)C(C)(C)C.
What is the InChIKey of (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene?
The InChIKey is ATXWCUIGPLNFBM-CSKARUKUSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)10(3)8-11(4)12(5,6)7/h8-9H,4H2,1-3,5-7H3/b10-8+.
What are the key properties of (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene?
(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene is sourced from PubChem (CID 144514446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).