1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol

C10H18O4 — CID 58856737

IUPAC1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
SMILESOC(COCC1CC1)COCC1CO1
InChIInChI=1S/C10H18O4/c11-9(4-12-3-8-1-2-8)5-13-6-10-7-14-10/h8-11H,1-7H2
InChIKeyHAGYOGWHULZDHB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.19
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol

1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol (PubChem CID 58856737) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
PubChem CID58856737
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
SMILESOC(COCC1CC1)COCC1CO1
InChIInChI=1S/C10H18O4/c11-9(4-12-3-8-1-2-8)5-13-6-10-7-14-10/h8-11H,1-7H2
InChIKeyHAGYOGWHULZDHB-UHFFFAOYSA-N
XLogP0.19
TPSA51.22 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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
CID 59975026
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium
CID 177273640
1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
CID 175354226
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 140652815
methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol
CID 162201980
4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22644383

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol (CID 58856737) is 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol is OC(COCC1CC1)COCC1CO1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol?
The InChIKey is HAGYOGWHULZDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-9(4-12-3-8-1-2-8)5-13-6-10-7-14-10/h8-11H,1-7H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol?
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol has a molecular weight of 202.25 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 58856737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).