2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene

C12H22O — CID 123612539

IUPAC2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene
SMILESCC=C(CC)OCC(C)C=C(C)C
InChIInChI=1S/C12H22O/c1-6-12(7-2)13-9-11(5)8-10(3)4/h6,8,11H,7,9H2,1-5H3
InChIKeyYTTNEOKKQNJZJS-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.92
Rot. Bonds5

About 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene

2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene (PubChem CID 123612539) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene.

Molecular Properties

Compound Name2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene
PubChem CID123612539
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene
SMILESCC=C(CC)OCC(C)C=C(C)C
InChIInChI=1S/C12H22O/c1-6-12(7-2)13-9-11(5)8-10(3)4/h6,8,11H,7,9H2,1-5H3
InChIKeyYTTNEOKKQNJZJS-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene?
The IUPAC name of 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene (CID 123612539) is 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene.
What is the SMILES notation for 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene?
The canonical SMILES for 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene is CC=C(CC)OCC(C)C=C(C)C.
What is the InChIKey of 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene?
The InChIKey is YTTNEOKKQNJZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-12(7-2)13-9-11(5)8-10(3)4/h6,8,11H,7,9H2,1-5H3.
What are the key properties of 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene?
2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene has a molecular weight of 182.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene is sourced from PubChem (CID 123612539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).