(2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane

C10H18O2 — CID 54559435

IUPAC(2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane
SMILESCCCC=C[C@@H]1OCC[C@@H](C)O1
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10-11-8-7-9(2)12-10/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyZPMQDOUFYGGEPN-NXEZZACHSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds3

About (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane

(2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane (PubChem CID 54559435) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane
PubChem CID54559435
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane
SMILESCCCC=C[C@@H]1OCC[C@@H](C)O1
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10-11-8-7-9(2)12-10/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyZPMQDOUFYGGEPN-NXEZZACHSA-N
XLogP2.49
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 ≤ 52.49
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)-4-methyl-2-pent-1-enyl-1,3-dioxane?
The IUPAC name of (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane (CID 54559435) is (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane.
What is the SMILES notation for (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane?
The canonical SMILES for (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane is CCCC=C[C@@H]1OCC[C@@H](C)O1.
What is the InChIKey of (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane?
The InChIKey is ZPMQDOUFYGGEPN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-10-11-8-7-9(2)12-10/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane?
(2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-2-pent-1-enyl-1,3-dioxane is sourced from PubChem (CID 54559435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).