methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate

C15H26O3 — CID 134981784

IUPACmethyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate
SMILESCOC(=O)C[C@@H](CCC(C)=C=C(C)C)OC(C)C
InChIInChI=1S/C15H26O3/c1-11(2)9-13(5)7-8-14(18-12(3)4)10-15(16)17-6/h12,14H,7-8,10H2,1-6H3/t14-/m1/s1
InChIKeyOZCPKCAYVUNXTC-CQSZACIVSA-N
MW254.37 g/mol
LogP3.63
Rot. Bonds7

About methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate

methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate (PubChem CID 134981784) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate.

Molecular Properties

Compound Namemethyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate
PubChem CID134981784
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namemethyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate
SMILESCOC(=O)C[C@@H](CCC(C)=C=C(C)C)OC(C)C
InChIInChI=1S/C15H26O3/c1-11(2)9-13(5)7-8-14(18-12(3)4)10-15(16)17-6/h12,14H,7-8,10H2,1-6H3/t14-/m1/s1
InChIKeyOZCPKCAYVUNXTC-CQSZACIVSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate?
The IUPAC name of methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate (CID 134981784) is methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate.
What is the SMILES notation for methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate?
The canonical SMILES for methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate is COC(=O)C[C@@H](CCC(C)=C=C(C)C)OC(C)C.
What is the InChIKey of methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate?
The InChIKey is OZCPKCAYVUNXTC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(2)9-13(5)7-8-14(18-12(3)4)10-15(16)17-6/h12,14H,7-8,10H2,1-6H3/t14-/m1/s1.
What are the key properties of methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate?
methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate has a molecular weight of 254.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate is sourced from PubChem (CID 134981784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).