1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid

C10H18O4 — CID 70523379

IUPAC1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCOCCO)CC1
InChIInChI=1S/C10H18O4/c11-6-8-14-7-2-1-3-10(4-5-10)9(12)13/h11H,1-8H2,(H,12,13)
InChIKeyCYTZYNWYUOPNSK-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.03
Rot. Bonds8

About 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid

1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid (PubChem CID 70523379) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid
PubChem CID70523379
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCOCCO)CC1
InChIInChI=1S/C10H18O4/c11-6-8-14-7-2-1-3-10(4-5-10)9(12)13/h11H,1-8H2,(H,12,13)
InChIKeyCYTZYNWYUOPNSK-UHFFFAOYSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.03
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

1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid
CID 155770785
4-(5-hydroxypentyl)piperidine-4-carboxylic acid
CID 79424853
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365
4-(6-hydroxyhexyl)-1,1-dioxothiane-4-carboxylic acid
CID 146658372
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
4-tert-butyl-1-(5-hydroxypentyl)cyclohexane-1-carboxylic acid
CID 79425693

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid (CID 70523379) is 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CCCCOCCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid?
The InChIKey is CYTZYNWYUOPNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-6-8-14-7-2-1-3-10(4-5-10)9(12)13/h11H,1-8H2,(H,12,13).
What are the key properties of 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid?
1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70523379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).