3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol

C11H22O4 — CID 123886201

IUPAC3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol
SMILESCCC1CC1C(OCO)OC(C)CCO
InChIInChI=1S/C11H22O4/c1-3-9-6-10(9)11(14-7-13)15-8(2)4-5-12/h8-13H,3-7H2,1-2H3
InChIKeyRSKSDQOAYXNLGB-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.11
Rot. Bonds8

About 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol

3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol (PubChem CID 123886201) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol.

Molecular Properties

Compound Name3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol
PubChem CID123886201
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol
SMILESCCC1CC1C(OCO)OC(C)CCO
InChIInChI=1S/C11H22O4/c1-3-9-6-10(9)11(14-7-13)15-8(2)4-5-12/h8-13H,3-7H2,1-2H3
InChIKeyRSKSDQOAYXNLGB-UHFFFAOYSA-N
XLogP1.11
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841194
(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841193
carbon dioxide;1-ethyl-2-propan-2-ylcyclopropane
CID 158990668
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-ethyl-2-(3,4,5-trimethylheptan-2-yl)cyclopropane
CID 123142246
1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
CID 90998982
(3S)-3-(2-methylbutoxy)butan-1-ol
CID 87892017
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
3-(2-methylbutoxy)butan-1-ol
CID 87892018
1-ethyl-2-(7-methylocta-5,6-dien-2-yl)cyclopropane
CID 123441755
2-(2-butan-2-ylcyclopropyl)ethanol
CID 123287360
2-butan-2-yloxybutane;3-methylbutan-1-ol
CID 175296093

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol?
The IUPAC name of 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol (CID 123886201) is 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol.
What is the SMILES notation for 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol?
The canonical SMILES for 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol is CCC1CC1C(OCO)OC(C)CCO.
What is the InChIKey of 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol?
The InChIKey is RSKSDQOAYXNLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-9-6-10(9)11(14-7-13)15-8(2)4-5-12/h8-13H,3-7H2,1-2H3.
What are the key properties of 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol?
3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol has a molecular weight of 218.29 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol is sourced from PubChem (CID 123886201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).