[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate

C15H24O2 — CID 137492389

IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate
SMILESCC(C)=CCC/C(C)=C\COC(=O)C1CCC1
InChIInChI=1S/C15H24O2/c1-12(2)6-4-7-13(3)10-11-17-15(16)14-8-5-9-14/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10-
InChIKeySOLKRNIJQXYOOV-RAXLEYEMSA-N
MW236.35 g/mol
LogP4.02
Rot. Bonds6

About [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate

[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate (PubChem CID 137492389) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate
PubChem CID137492389
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate
SMILESCC(C)=CCC/C(C)=C\COC(=O)C1CCC1
InChIInChI=1S/C15H24O2/c1-12(2)6-4-7-13(3)10-11-17-15(16)14-8-5-9-14/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10-
InChIKeySOLKRNIJQXYOOV-RAXLEYEMSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethylocta-2,6-dienyl cyclohexanecarboxylate
CID 54106608
[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate
CID 137492081
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
CID 24837329
alumane;[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 173458280
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanedioate
CID 102530693
[(2E)-3,7-dimethylocta-2,6-dienyl] 4-bromobutanoate
CID 176892958
[(2Z)-3,7-dimethylocta-2,6-dienyl] (Z)-2-methylbut-2-enoate
CID 38988903
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
CID 46937945
O-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-cyclopropylcarbamothioate
CID 71735111
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-[[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]amino]acetate
CID 140995074

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate?
The IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate (CID 137492389) is [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate.
What is the SMILES notation for [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate?
The canonical SMILES for [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate is CC(C)=CCC/C(C)=C\COC(=O)C1CCC1.
What is the InChIKey of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate?
The InChIKey is SOLKRNIJQXYOOV-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)6-4-7-13(3)10-11-17-15(16)14-8-5-9-14/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10-.
What are the key properties of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate?
[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate has a molecular weight of 236.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate is sourced from PubChem (CID 137492389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).