5-cyclohexyloxy-2-methylidenepentanoic acid

C12H20O3 — CID 66778436

IUPAC5-cyclohexyloxy-2-methylidenepentanoic acid
SMILESC=C(CCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C12H20O3/c1-10(12(13)14)6-5-9-15-11-7-3-2-4-8-11/h11H,1-9H2,(H,13,14)
InChIKeyMINGWIBURXKMIB-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.76
Rot. Bonds6

About 5-cyclohexyloxy-2-methylidenepentanoic acid

5-cyclohexyloxy-2-methylidenepentanoic acid (PubChem CID 66778436) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-cyclohexyloxy-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-cyclohexyloxy-2-methylidenepentanoic acid
PubChem CID66778436
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-cyclohexyloxy-2-methylidenepentanoic acid
SMILESC=C(CCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C12H20O3/c1-10(12(13)14)6-5-9-15-11-7-3-2-4-8-11/h11H,1-9H2,(H,13,14)
InChIKeyMINGWIBURXKMIB-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 173292672
6-cycloheptyloxyhexan-2-one
CID 61069930
3-cyclopentyloxypropanoic acid
CID 24706641
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
2,11-dimethylidenedodecanedioic acid
CID 20542368
3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol
CID 139572007
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-2-methylidenepentanoic acid?
The IUPAC name of 5-cyclohexyloxy-2-methylidenepentanoic acid (CID 66778436) is 5-cyclohexyloxy-2-methylidenepentanoic acid.
What is the SMILES notation for 5-cyclohexyloxy-2-methylidenepentanoic acid?
The canonical SMILES for 5-cyclohexyloxy-2-methylidenepentanoic acid is C=C(CCCOC1CCCCC1)C(=O)O.
What is the InChIKey of 5-cyclohexyloxy-2-methylidenepentanoic acid?
The InChIKey is MINGWIBURXKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(12(13)14)6-5-9-15-11-7-3-2-4-8-11/h11H,1-9H2,(H,13,14).
What are the key properties of 5-cyclohexyloxy-2-methylidenepentanoic acid?
5-cyclohexyloxy-2-methylidenepentanoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-2-methylidenepentanoic acid is sourced from PubChem (CID 66778436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).