4-methyl-5-propan-2-yloxypent-1-ene

C9H18O — CID 144799299

IUPAC4-methyl-5-propan-2-yloxypent-1-ene
SMILESC=CCC(C)COC(C)C
InChIInChI=1S/C9H18O/c1-5-6-9(4)7-10-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyHYTOQUBOAJOVOB-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.62
Rot. Bonds5

About 4-methyl-5-propan-2-yloxypent-1-ene

4-methyl-5-propan-2-yloxypent-1-ene (PubChem CID 144799299) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yloxypent-1-ene.

Molecular Properties

Compound Name4-methyl-5-propan-2-yloxypent-1-ene
PubChem CID144799299
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4-methyl-5-propan-2-yloxypent-1-ene
SMILESC=CCC(C)COC(C)C
InChIInChI=1S/C9H18O/c1-5-6-9(4)7-10-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyHYTOQUBOAJOVOB-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.62
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 4-methyl-5-propan-2-yloxypent-1-ene?
The IUPAC name of 4-methyl-5-propan-2-yloxypent-1-ene (CID 144799299) is 4-methyl-5-propan-2-yloxypent-1-ene.
What is the SMILES notation for 4-methyl-5-propan-2-yloxypent-1-ene?
The canonical SMILES for 4-methyl-5-propan-2-yloxypent-1-ene is C=CCC(C)COC(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yloxypent-1-ene?
The InChIKey is HYTOQUBOAJOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-6-9(4)7-10-8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 4-methyl-5-propan-2-yloxypent-1-ene?
4-methyl-5-propan-2-yloxypent-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yloxypent-1-ene is sourced from PubChem (CID 144799299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).