3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

C13H26O2 — CID 178073832

IUPAC3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CC(C)C(COC(C)C)COC(C)C
InChIInChI=1S/C13H26O2/c1-7-12(6)13(8-14-10(2)3)9-15-11(4)5/h7,10-13H,1,8-9H2,2-6H3
InChIKeyVBWMAUZYEIQPRV-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.27
Rot. Bonds8

About 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (PubChem CID 178073832) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.

Molecular Properties

Compound Name3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
PubChem CID178073832
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CC(C)C(COC(C)C)COC(C)C
InChIInChI=1S/C13H26O2/c1-7-12(6)13(8-14-10(2)3)9-15-11(4)5/h7,10-13H,1,8-9H2,2-6H3
InChIKeyVBWMAUZYEIQPRV-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.27
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 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The IUPAC name of 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (CID 178073832) is 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.
What is the SMILES notation for 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The canonical SMILES for 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is C=CC(C)C(COC(C)C)COC(C)C.
What is the InChIKey of 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The InChIKey is VBWMAUZYEIQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-12(6)13(8-14-10(2)3)9-15-11(4)5/h7,10-13H,1,8-9H2,2-6H3.
What are the key properties of 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene has a molecular weight of 214.35 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is sourced from PubChem (CID 178073832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).