[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate

C14H24O3 — CID 123644539

IUPAC[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCCCO)CCC1C
InChIInChI=1S/C14H24O3/c1-11(2)13(16)17-14(9-7-12(14)3)8-5-4-6-10-15/h12,15H,1,4-10H2,2-3H3
InChIKeyFDTQHKWXXFCOGS-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.83
Rot. Bonds7

About [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate

[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate (PubChem CID 123644539) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate
PubChem CID123644539
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCCCO)CCC1C
InChIInChI=1S/C14H24O3/c1-11(2)13(16)17-14(9-7-12(14)3)8-5-4-6-10-15/h12,15H,1,4-10H2,2-3H3
InChIKeyFDTQHKWXXFCOGS-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899
[2-(2-hydroxyacetyl)-4-methoxy-1-(2-methoxyethyl)cyclohexyl] 2-methylprop-2-enoate
CID 135225209
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
[1-(6-methylheptyl)cyclooctyl] 2-methylprop-2-enoate
CID 140866507
(2,4-diethoxy-1-methylcyclohexyl) 2-methylprop-2-enoate
CID 135225174
[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225189
(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831

Frequently Asked Questions

What is the IUPAC name of [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate (CID 123644539) is [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCCCCO)CCC1C.
What is the InChIKey of [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate?
The InChIKey is FDTQHKWXXFCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)13(16)17-14(9-7-12(14)3)8-5-4-6-10-15/h12,15H,1,4-10H2,2-3H3.
What are the key properties of [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate?
[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123644539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).