3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene

C12H22O — CID 57069302

IUPAC3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene
SMILESCCC(C)C=COC=CC(C)CC
InChIInChI=1S/C12H22O/c1-5-11(3)7-9-13-10-8-12(4)6-2/h7-12H,5-6H2,1-4H3
InChIKeyFFWDVYQIAYXTQW-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.12
Rot. Bonds6

About 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene

3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene (PubChem CID 57069302) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene.

Molecular Properties

Compound Name3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene
PubChem CID57069302
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene
SMILESCCC(C)C=COC=CC(C)CC
InChIInChI=1S/C12H22O/c1-5-11(3)7-9-13-10-8-12(4)6-2/h7-12H,5-6H2,1-4H3
InChIKeyFFWDVYQIAYXTQW-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene?
The IUPAC name of 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene (CID 57069302) is 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene.
What is the SMILES notation for 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene?
The canonical SMILES for 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene is CCC(C)C=COC=CC(C)CC.
What is the InChIKey of 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene?
The InChIKey is FFWDVYQIAYXTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-11(3)7-9-13-10-8-12(4)6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene?
3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene has a molecular weight of 182.31 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpent-1-enoxy)pent-1-ene is sourced from PubChem (CID 57069302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).