(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane

C10H18O2 — CID 167458888

IUPAC(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CCO[C@@H](COC)C1
InChIInChI=1S/C10H18O2/c1-8(2)9-4-5-12-10(6-9)7-11-3/h9-10H,1,4-7H2,2-3H3/t9-,10-/m1/s1
InChIKeyCOGVUOQUDBZAMY-NXEZZACHSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds3

About (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane

(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane (PubChem CID 167458888) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane
PubChem CID167458888
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CCO[C@@H](COC)C1
InChIInChI=1S/C10H18O2/c1-8(2)9-4-5-12-10(6-9)7-11-3/h9-10H,1,4-7H2,2-3H3/t9-,10-/m1/s1
InChIKeyCOGVUOQUDBZAMY-NXEZZACHSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane?
The IUPAC name of (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane (CID 167458888) is (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane.
What is the SMILES notation for (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane?
The canonical SMILES for (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane is C=C(C)[C@@H]1CCO[C@@H](COC)C1.
What is the InChIKey of (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane?
The InChIKey is COGVUOQUDBZAMY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)9-4-5-12-10(6-9)7-11-3/h9-10H,1,4-7H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane?
(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane has a molecular weight of 170.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane is sourced from PubChem (CID 167458888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).