(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene

C16H24O3 — CID 10706752

IUPAC(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
SMILESCOCC1=C[C@H]2C(COC)=C(COC)[C@@H]1C2=C(C)C
InChIInChI=1S/C16H24O3/c1-10(2)15-12-6-11(7-17-3)16(15)14(9-19-5)13(12)8-18-4/h6,12,16H,7-9H2,1-5H3/t12-,16+/m0/s1
InChIKeyKDRZUQVDGAOUEP-BLLLJJGKSA-N
MW264.36 g/mol
LogP2.74
Rot. Bonds6

About (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene

(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene (PubChem CID 10706752) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
PubChem CID10706752
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
SMILESCOCC1=C[C@H]2C(COC)=C(COC)[C@@H]1C2=C(C)C
InChIInChI=1S/C16H24O3/c1-10(2)15-12-6-11(7-17-3)16(15)14(9-19-5)13(12)8-18-4/h6,12,16H,7-9H2,1-5H3/t12-,16+/m0/s1
InChIKeyKDRZUQVDGAOUEP-BLLLJJGKSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(s)-4-(Prop-1-en-2-yl)-1-[(vinyloxy)methyl]cyclohex-1-ene
CID 12140153
Carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379864
(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene
CID 162403390
2,3,5,6-Tetrakis(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene
CID 10852334
2-(Methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 13395058
1-(Methoxymethyl)-4-propan-2-ylcyclohexene
CID 21357270
2-(Octoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 22754196
1-(Methoxymethyl)-4-methylcyclohexene
CID 54421346
1,4-Bis(ethenoxymethyl)cyclohexene
CID 57204669
3-[(E)-but-2-en-2-yl]-2-(methoxymethyl)-1-methylcyclopentene
CID 60138537
3-[(E)-but-2-en-2-yl]-2-(ethoxymethyl)-1-methylcyclopentene
CID 60138538
2-(Butoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 67449633

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene (CID 10706752) is (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene is COCC1=C[C@H]2C(COC)=C(COC)[C@@H]1C2=C(C)C.
What is the InChIKey of (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is KDRZUQVDGAOUEP-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)15-12-6-11(7-17-3)16(15)14(9-19-5)13(12)8-18-4/h6,12,16H,7-9H2,1-5H3/t12-,16+/m0/s1.
What are the key properties of (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene?
(1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 264.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2,3,5-tris(methoxymethyl)-7-propan-2-ylidenebicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 10706752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).