2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid

C13H24O2 — CID 118670944

IUPAC2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid
SMILESC=C(CC)C(C)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24O2/c1-8-9(2)10(3)12(4,5)13(6,7)11(14)15/h10H,2,8H2,1,3-7H3,(H,14,15)
InChIKeyRXBMPQUCVUSQDV-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.73
Rot. Bonds5

About 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid

2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid (PubChem CID 118670944) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid.

Molecular Properties

Compound Name2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid
PubChem CID118670944
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid
SMILESC=C(CC)C(C)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24O2/c1-8-9(2)10(3)12(4,5)13(6,7)11(14)15/h10H,2,8H2,1,3-7H3,(H,14,15)
InChIKeyRXBMPQUCVUSQDV-UHFFFAOYSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,2,4,5,5,6,6,7-octamethyl-8-methylidenedecan-3-yl)phosphane
CID 134604877
2,2,3,3,4-pentamethylhexanedioic acid
CID 88799291
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803
2-tert-butyl-3-methyl-2-propylbutanedioic acid
CID 88879853
(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
2-ethyl-2,3,3-trimethylbutanedioic acid
CID 54557426
2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
CID 114987810
(2S)-2-hydroxy-2,3-dimethyl-4-methylidenepentanedioic acid
CID 89306236
2,2,3,3,5-pentamethyl-4-oxohex-5-enoic acid
CID 118670942
2-fluoro-3-methylidenepentane
CID 89209317

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid?
The IUPAC name of 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid (CID 118670944) is 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid.
What is the SMILES notation for 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid?
The canonical SMILES for 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid is C=C(CC)C(C)C(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid?
The InChIKey is RXBMPQUCVUSQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-8-9(2)10(3)12(4,5)13(6,7)11(14)15/h10H,2,8H2,1,3-7H3,(H,14,15).
What are the key properties of 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid?
2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethyl-5-methylideneheptanoic acid is sourced from PubChem (CID 118670944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).