1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol

C10H18O4 — CID 134877642

IUPAC1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol
SMILESC=CC(O)C1(OCOCCOC)CC1
InChIInChI=1S/C10H18O4/c1-3-9(11)10(4-5-10)14-8-13-7-6-12-2/h3,9,11H,1,4-8H2,2H3
InChIKeyNOOZXGLVVGSCSY-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.70
Rot. Bonds8

About 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol

1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol (PubChem CID 134877642) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol
PubChem CID134877642
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol
SMILESC=CC(O)C1(OCOCCOC)CC1
InChIInChI=1S/C10H18O4/c1-3-9(11)10(4-5-10)14-8-13-7-6-12-2/h3,9,11H,1,4-8H2,2H3
InChIKeyNOOZXGLVVGSCSY-UHFFFAOYSA-N
XLogP0.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
CID 102478541
(2S,3R,4R)-1-(methoxymethoxy)hex-5-ene-2,3,4-triol
CID 134860895
(3R,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930503
(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930959
2-(Hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol
CID 129103242
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562
(3R,4R)-4,5-bis(methoxymethoxy)pent-1-en-3-ol
CID 10488486
(3R,4S,5S)-4,5-bis(methoxymethoxy)hepta-1,6-dien-3-ol
CID 11195627
(3S,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol
CID 44513722
(3R,4R)-4-(methoxymethoxy)-3-methylhex-1-en-3-ol
CID 44513723
(4R)-4-(methoxymethoxy)hex-1-en-3-ol
CID 44516068
(3S,4S)-4-(2-methoxyethoxymethoxy)-3-methylhex-5-en-3-ol
CID 101758728

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol?
The IUPAC name of 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol (CID 134877642) is 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol?
The canonical SMILES for 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol is C=CC(O)C1(OCOCCOC)CC1.
What is the InChIKey of 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol?
The InChIKey is NOOZXGLVVGSCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-9(11)10(4-5-10)14-8-13-7-6-12-2/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol?
1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol has a molecular weight of 202.25 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol is sourced from PubChem (CID 134877642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).