1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid

C19H34O4 — CID 66922787

IUPAC1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid
SMILESCOC1(CCCCCC(O)CCCCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C19H34O4/c1-23-19(14-15-19)11-7-3-5-9-16(20)8-4-2-6-10-18(12-13-18)17(21)22/h16,20H,2-15H2,1H3,(H,21,22)
InChIKeyMKGAQRGPFYHHOQ-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.29
Rot. Bonds14

About 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid

1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid (PubChem CID 66922787) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid
PubChem CID66922787
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid
SMILESCOC1(CCCCCC(O)CCCCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C19H34O4/c1-23-19(14-15-19)11-7-3-5-9-16(20)8-4-2-6-10-18(12-13-18)17(21)22/h16,20H,2-15H2,1H3,(H,21,22)
InChIKeyMKGAQRGPFYHHOQ-UHFFFAOYSA-N
XLogP4.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid
CID 158057219
1-[6-methyl-11-[1-(oxocarbamoyl)cyclopropyl]undecyl]cyclopropane-1-carboxylic acid
CID 87430218
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid
CID 155770785
1-octylcyclononane-1-carboxylic acid
CID 71245674

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid (CID 66922787) is 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid is COC1(CCCCCC(O)CCCCCC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid?
The InChIKey is MKGAQRGPFYHHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-23-19(14-15-19)11-7-3-5-9-16(20)8-4-2-6-10-18(12-13-18)17(21)22/h16,20H,2-15H2,1H3,(H,21,22).
What are the key properties of 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid?
1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid has a molecular weight of 326.48 g/mol, XLogP of 4.29, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66922787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).