methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate

C15H26O3 — CID 24853912

IUPACmethyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
SMILESCOC(=O)CC(=O)CCC[C@@H](C)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)7-5-8-13(3)9-6-10-14(16)11-15(17)18-4/h7,13H,5-6,8-11H2,1-4H3/t13-/m0/s1
InChIKeyPKBMGNSKHVTISU-ZDUSSCGKSA-N
MW254.37 g/mol
LogP3.67
Rot. Bonds9

About methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate

methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate (PubChem CID 24853912) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate.

Molecular Properties

Compound Namemethyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
PubChem CID24853912
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namemethyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
SMILESCOC(=O)CC(=O)CCC[C@@H](C)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)7-5-8-13(3)9-6-10-14(16)11-15(17)18-4/h7,13H,5-6,8-11H2,1-4H3/t13-/m0/s1
InChIKeyPKBMGNSKHVTISU-ZDUSSCGKSA-N
XLogP3.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8,12-dimethyltridec-11-en-4-one
CID 71359316
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
1-O-(3,7-dimethyloct-6-enyl) 6-O-(2-methylpropyl) hexanedioate
CID 91713676
methyl 3-imino-5,9-dimethyldec-8-enoate
CID 54056647
4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
CID 87880909
2,6,10-trimethylundec-2-ene
CID 14805750
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
methyl 5-methylhex-4-enoate
CID 10909672
methyl (5R)-5-methyl-8-oxononanoate
CID 56834727
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
3,7-dimethyloct-6-enyl 10-[[10-(3,7-dimethyloct-6-enoxy)-10-oxodecyl]amino]decanoate
CID 176916997

Frequently Asked Questions

What is the IUPAC name of methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate?
The IUPAC name of methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate (CID 24853912) is methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate.
What is the SMILES notation for methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate?
The canonical SMILES for methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate is COC(=O)CC(=O)CCC[C@@H](C)CCC=C(C)C.
What is the InChIKey of methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate?
The InChIKey is PKBMGNSKHVTISU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)7-5-8-13(3)9-6-10-14(16)11-15(17)18-4/h7,13H,5-6,8-11H2,1-4H3/t13-/m0/s1.
What are the key properties of methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate?
methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate has a molecular weight of 254.37 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate is sourced from PubChem (CID 24853912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).