propyl 10-methylundecanoate

C15H30O2 — CID 138489997

IUPACpropyl 10-methylundecanoate
SMILESCCCOC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C15H30O2/c1-4-13-17-15(16)12-10-8-6-5-7-9-11-14(2)3/h14H,4-13H2,1-3H3
InChIKeyQRKZAFLZJBUYMS-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.72
Rot. Bonds11

About propyl 10-methylundecanoate

propyl 10-methylundecanoate (PubChem CID 138489997) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is propyl 10-methylundecanoate.

Molecular Properties

Compound Namepropyl 10-methylundecanoate
PubChem CID138489997
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Namepropyl 10-methylundecanoate
SMILESCCCOC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C15H30O2/c1-4-13-17-15(16)12-10-8-6-5-7-9-11-14(2)3/h14H,4-13H2,1-3H3
InChIKeyQRKZAFLZJBUYMS-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-O-(4-methylpentyl) 1-O-propyl decanedioate
CID 91736244
butyl 10-methylundecanoate
CID 123469590
butyl 15-methylhexadecanoate
CID 91692813
12-methyltridecyl heptadecanoate
CID 56935909
9-methyldecyl decanoate
CID 139914420
36-methylheptatriacontyl dodecanoate
CID 170564142
decyl 16-methylheptadecanoate
CID 3024804
nonyl 14-methylpentadecanoate
CID 139914382
octyl 13-methyltetradecanoate
CID 139914412
heptyl 9-methyldecanoate
CID 123447307
6-O-(8-methylnonyl) 1-O-tetradecyl hexanedioate
CID 152566487
heptadecyl 15-methylhexadecanoate
CID 175500056

Frequently Asked Questions

What is the IUPAC name of propyl 10-methylundecanoate?
The IUPAC name of propyl 10-methylundecanoate (CID 138489997) is propyl 10-methylundecanoate.
What is the SMILES notation for propyl 10-methylundecanoate?
The canonical SMILES for propyl 10-methylundecanoate is CCCOC(=O)CCCCCCCCC(C)C.
What is the InChIKey of propyl 10-methylundecanoate?
The InChIKey is QRKZAFLZJBUYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-13-17-15(16)12-10-8-6-5-7-9-11-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of propyl 10-methylundecanoate?
propyl 10-methylundecanoate has a molecular weight of 242.40 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 10-methylundecanoate is sourced from PubChem (CID 138489997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).