2-cyclopropyl-7-hydroxy-2-methylheptanoic acid

C11H20O3 — CID 83148520

IUPAC2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
SMILESCC(CCCCCO)(C(=O)O)C1CC1
InChIInChI=1S/C11H20O3/c1-11(10(13)14,9-5-6-9)7-3-2-4-8-12/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyBXBKQVPRAUWQQN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds7

About 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid

2-cyclopropyl-7-hydroxy-2-methylheptanoic acid (PubChem CID 83148520) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
PubChem CID83148520
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
SMILESCC(CCCCCO)(C(=O)O)C1CC1
InChIInChI=1S/C11H20O3/c1-11(10(13)14,9-5-6-9)7-3-2-4-8-12/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyBXBKQVPRAUWQQN-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
CID 126974927
2-methyl-2-piperidin-4-yldecanedioic acid
CID 67134863
2-(aminomethyl)-2-cyclopropyl-8-hydroxyoctanoic acid
CID 107708251
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid
CID 83154949
2-(aminomethyl)-2-cyclopropyl-5-hydroxypentanoic acid
CID 106489638
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid?
The IUPAC name of 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid (CID 83148520) is 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid.
What is the SMILES notation for 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid?
The canonical SMILES for 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid is CC(CCCCCO)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid?
The InChIKey is BXBKQVPRAUWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(10(13)14,9-5-6-9)7-3-2-4-8-12/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid?
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-hydroxy-2-methylheptanoic acid is sourced from PubChem (CID 83148520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).