3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane

C14H26O2 — CID 87658121

IUPAC3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane
SMILESCC(C)=COCCC(C)CCOC=C(C)C
InChIInChI=1S/C14H26O2/c1-12(2)10-15-8-6-14(5)7-9-16-11-13(3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyUOVIJFWXZZIIAP-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.28
Rot. Bonds8

About 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane

3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane (PubChem CID 87658121) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane.

Molecular Properties

Compound Name3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane
PubChem CID87658121
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane
SMILESCC(C)=COCCC(C)CCOC=C(C)C
InChIInChI=1S/C14H26O2/c1-12(2)10-15-8-6-14(5)7-9-16-11-13(3)4/h10-11,14H,6-9H2,1-5H3
InChIKeyUOVIJFWXZZIIAP-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane?
The IUPAC name of 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane (CID 87658121) is 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane.
What is the SMILES notation for 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane?
The canonical SMILES for 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane is CC(C)=COCCC(C)CCOC=C(C)C.
What is the InChIKey of 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane?
The InChIKey is UOVIJFWXZZIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)10-15-8-6-14(5)7-9-16-11-13(3)4/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane?
3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane has a molecular weight of 226.36 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-bis(2-methylprop-1-enoxy)pentane is sourced from PubChem (CID 87658121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).