2-cyclopropyl-2-(2-methylpentoxy)acetic acid

C11H20O3 — CID 103282788

IUPAC2-cyclopropyl-2-(2-methylpentoxy)acetic acid
SMILESCCCC(C)COC(C(=O)O)C1CC1
InChIInChI=1S/C11H20O3/c1-3-4-8(2)7-14-10(11(12)13)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMBCLLGXANDWCCD-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds7

About 2-cyclopropyl-2-(2-methylpentoxy)acetic acid

2-cyclopropyl-2-(2-methylpentoxy)acetic acid (PubChem CID 103282788) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methylpentoxy)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methylpentoxy)acetic acid
PubChem CID103282788
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-cyclopropyl-2-(2-methylpentoxy)acetic acid
SMILESCCCC(C)COC(C(=O)O)C1CC1
InChIInChI=1S/C11H20O3/c1-3-4-8(2)7-14-10(11(12)13)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMBCLLGXANDWCCD-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentoxy)hexanoic acid
CID 103282733
2-methylpentyl 3-amino-3-cyclopropylpropanoate
CID 103284230
2-cyclopropyl-2-(2-cyclopropylethoxy)acetic acid
CID 106199301
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
CID 103284916
1-(2-methylpentoxy)ethanol
CID 173285010
2-methylpentyl carbonofluoridate
CID 175528242
4-cyclopropyl-3-methylheptan-2-one
CID 166116271
2-ethoxy-2-(thiolan-3-yl)acetic acid
CID 107133941
2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
2-methylpentyl 2-(azetidin-3-yl)propanoate
CID 103284304
1-cyclopropyl-1-ethoxyheptan-2-one
CID 116709315
2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid
CID 82953620

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methylpentoxy)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2-methylpentoxy)acetic acid (CID 103282788) is 2-cyclopropyl-2-(2-methylpentoxy)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-methylpentoxy)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-methylpentoxy)acetic acid is CCCC(C)COC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-methylpentoxy)acetic acid?
The InChIKey is MBCLLGXANDWCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-8(2)7-14-10(11(12)13)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(2-methylpentoxy)acetic acid?
2-cyclopropyl-2-(2-methylpentoxy)acetic acid has a molecular weight of 200.28 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methylpentoxy)acetic acid is sourced from PubChem (CID 103282788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).