3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene

C10H18O — CID 23384938

IUPAC3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene
SMILESC=CC(C=C)(COC)C(C)C
InChIInChI=1S/C10H18O/c1-6-10(7-2,8-11-5)9(3)4/h6-7,9H,1-2,8H2,3-5H3
InChIKeyILIPFCHVHIICPF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds5

About 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene

3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene (PubChem CID 23384938) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene.

Molecular Properties

Compound Name3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene
PubChem CID23384938
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene
SMILESC=CC(C=C)(COC)C(C)C
InChIInChI=1S/C10H18O/c1-6-10(7-2,8-11-5)9(3)4/h6-7,9H,1-2,8H2,3-5H3
InChIKeyILIPFCHVHIICPF-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene?
The IUPAC name of 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene (CID 23384938) is 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene.
What is the SMILES notation for 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene?
The canonical SMILES for 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene is C=CC(C=C)(COC)C(C)C.
What is the InChIKey of 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene?
The InChIKey is ILIPFCHVHIICPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-10(7-2,8-11-5)9(3)4/h6-7,9H,1-2,8H2,3-5H3.
What are the key properties of 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene?
3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene has a molecular weight of 154.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-propan-2-ylpenta-1,4-diene is sourced from PubChem (CID 23384938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).