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

C14H22O2 — CID 137492081

IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate
SMILESCC(C)=CCC/C(C)=C\COC(=O)C1CC1
InChIInChI=1S/C14H22O2/c1-11(2)5-4-6-12(3)9-10-16-14(15)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3/b12-9-
InChIKeyYTMOEYMXUBQWCM-XFXZXTDPSA-N
MW222.33 g/mol
LogP3.63
Rot. Bonds6

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

[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate (PubChem CID 137492081) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate
PubChem CID137492081
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate
SMILESCC(C)=CCC/C(C)=C\COC(=O)C1CC1
InChIInChI=1S/C14H22O2/c1-11(2)5-4-6-12(3)9-10-16-14(15)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3/b12-9-
InChIKeyYTMOEYMXUBQWCM-XFXZXTDPSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.63
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

[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclobutanecarboxylate
CID 137492389
3,7-dimethylocta-2,6-dienyl cyclohexanecarboxylate
CID 54106608
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)-3,7-dimethylocta-2,6-dienyl] 2-[[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]amino]acetate
CID 140995074
3,7-dimethylocta-2,6-dienyl 7,11-dimethyldodeca-6,10-dienoate
CID 91565199
[(2E)-3,7-dimethylocta-2,6-dienyl] but-3-enoate
CID 139889116

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate?
The IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate (CID 137492081) is [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate.
What is the SMILES notation for [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate?
The canonical SMILES for [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate is CC(C)=CCC/C(C)=C\COC(=O)C1CC1.
What is the InChIKey of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate?
The InChIKey is YTMOEYMXUBQWCM-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)5-4-6-12(3)9-10-16-14(15)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3/b12-9-.
What are the key properties of [(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate?
[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.63, 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] cyclopropanecarboxylate is sourced from PubChem (CID 137492081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).