3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene

C12H22O — CID 87172850

IUPAC3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene
SMILESC=CC(C)(CC)OC(C)(C=C)CC
InChIInChI=1S/C12H22O/c1-7-11(5,8-2)13-12(6,9-3)10-4/h7,9H,1,3,8,10H2,2,4-6H3
InChIKeyXDURBVFMSMXVIY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.71
Rot. Bonds6

About 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene

3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene (PubChem CID 87172850) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene.

Molecular Properties

Compound Name3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene
PubChem CID87172850
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene
SMILESC=CC(C)(CC)OC(C)(C=C)CC
InChIInChI=1S/C12H22O/c1-7-11(5,8-2)13-12(6,9-3)10-4/h7,9H,1,3,8,10H2,2,4-6H3
InChIKeyXDURBVFMSMXVIY-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene?
The IUPAC name of 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene (CID 87172850) is 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene.
What is the SMILES notation for 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene?
The canonical SMILES for 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene is C=CC(C)(CC)OC(C)(C=C)CC.
What is the InChIKey of 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene?
The InChIKey is XDURBVFMSMXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-7-11(5,8-2)13-12(6,9-3)10-4/h7,9H,1,3,8,10H2,2,4-6H3.
What are the key properties of 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene?
3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene has a molecular weight of 182.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylpent-1-en-3-yloxy)pent-1-ene is sourced from PubChem (CID 87172850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).