[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate

C14H26O2 — CID 24884268

IUPAC[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
SMILESCC(C)=CCC[C@@H](C)CCOC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3/t13-/m1/s1
InChIKeyZGPPERKMXSGYRK-CYBMUJFWSA-N
MW226.36 g/mol
LogP3.96
Rot. Bonds7

About [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate

[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate (PubChem CID 24884268) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
PubChem CID24884268
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
SMILESCC(C)=CCC[C@@H](C)CCOC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3/t13-/m1/s1
InChIKeyZGPPERKMXSGYRK-CYBMUJFWSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.96
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-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
[(3R)-3,7-dimethyloct-6-enyl] butanoate
CID 23616651
carbonic acid;3,7-dimethyloct-6-enyl prop-2-enoate
CID 174517653
3,7-dimethyloct-6-enyl 3-methylbut-3-enoate
CID 21156119
[(3R)-3,7-dimethyloct-6-enyl] (5S)-3-hydroxy-5,9-dimethyldec-8-enoate
CID 166747683
1-O-(3,7-dimethyloct-6-enyl) 6-O-(2-methylpropyl) hexanedioate
CID 91713676
1-O-butyl 4-O-(3,7-dimethyloct-6-enyl) butanedioate
CID 91701782
3,7-dimethyloct-6-enyl 2,3,4,5,6-pentafluorobenzoate
CID 91731951
3,7-dimethyloct-6-enyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 21310250
4-O-(3,7-dimethyloct-6-enyl) 1-O-hexadecyl butanedioate
CID 91695173
3,7-dimethyloct-6-enyl 2-oxohexadecanoate
CID 12965186

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate?
The IUPAC name of [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate (CID 24884268) is [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate.
What is the SMILES notation for [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate?
The canonical SMILES for [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate is CC(C)=CCC[C@@H](C)CCOC(=O)C(C)C.
What is the InChIKey of [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate?
The InChIKey is ZGPPERKMXSGYRK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3/t13-/m1/s1.
What are the key properties of [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate?
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate has a molecular weight of 226.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate is sourced from PubChem (CID 24884268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).