2-methyl-2-propyldec-9-enoic acid

C14H26O2 — CID 151821272

IUPAC2-methyl-2-propyldec-9-enoic acid
SMILESC=CCCCCCCC(C)(CCC)C(=O)O
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-12-14(3,11-5-2)13(15)16/h4H,1,5-12H2,2-3H3,(H,15,16)
InChIKeySCRJBDNLWFUWAO-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds10

About 2-methyl-2-propyldec-9-enoic acid

2-methyl-2-propyldec-9-enoic acid (PubChem CID 151821272) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-2-propyldec-9-enoic acid.

Molecular Properties

Compound Name2-methyl-2-propyldec-9-enoic acid
PubChem CID151821272
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-2-propyldec-9-enoic acid
SMILESC=CCCCCCCC(C)(CCC)C(=O)O
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-12-14(3,11-5-2)13(15)16/h4H,1,5-12H2,2-3H3,(H,15,16)
InChIKeySCRJBDNLWFUWAO-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-2-propyloctadec-9-enoic acid
CID 160795376
2-decyl-2-methyltetradecanoic acid
CID 611890
2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methylicosanoic acid
CID 174997379
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
2-methyl-2-propylnonanedioic acid
CID 160508376
2-ethyl-2-fluoronon-8-enoic acid
CID 166852620
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
2-amino-2-methyldec-9-enoic acid
CID 76833646
2-butyl-2-methylhexanoic acid
CID 15930803
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propyldec-9-enoic acid?
The IUPAC name of 2-methyl-2-propyldec-9-enoic acid (CID 151821272) is 2-methyl-2-propyldec-9-enoic acid.
What is the SMILES notation for 2-methyl-2-propyldec-9-enoic acid?
The canonical SMILES for 2-methyl-2-propyldec-9-enoic acid is C=CCCCCCCC(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-propyldec-9-enoic acid?
The InChIKey is SCRJBDNLWFUWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-9-10-12-14(3,11-5-2)13(15)16/h4H,1,5-12H2,2-3H3,(H,15,16).
What are the key properties of 2-methyl-2-propyldec-9-enoic acid?
2-methyl-2-propyldec-9-enoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyldec-9-enoic acid is sourced from PubChem (CID 151821272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).