5-butan-2-yloxy-2-methylpent-1-ene

C10H20O — CID 123513431

IUPAC5-butan-2-yloxy-2-methylpent-1-ene
SMILESC=C(C)CCCOC(C)CC
InChIInChI=1S/C10H20O/c1-5-10(4)11-8-6-7-9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyIDFOMEVJZJCPHQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds6

About 5-butan-2-yloxy-2-methylpent-1-ene

5-butan-2-yloxy-2-methylpent-1-ene (PubChem CID 123513431) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-butan-2-yloxy-2-methylpent-1-ene.

Molecular Properties

Compound Name5-butan-2-yloxy-2-methylpent-1-ene
PubChem CID123513431
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name5-butan-2-yloxy-2-methylpent-1-ene
SMILESC=C(C)CCCOC(C)CC
InChIInChI=1S/C10H20O/c1-5-10(4)11-8-6-7-9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyIDFOMEVJZJCPHQ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-methoxyoct-1-ene
CID 12657011
1-Hexene, 2-ethoxy-
CID 10376321
2-Butoxyhex-1-ene
CID 15578219
2,4-Dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene
CID 20816773
1-Methyl-4-pentenyl ether
CID 57295639
5-Pentan-3-yloxyhex-1-ene
CID 135044726
6-((3-Methylbut-3-en-1-yl)oxy)hex-1-ene
CID 163319896
5-Ethoxyhex-1-ene
CID 10558643
2-Methyl-4-propan-2-yloxybut-1-ene
CID 12422925
6-Ethoxy-2-methylhept-2-ene
CID 13214230
6-Tert-butoxyhex-1-ene
CID 15107232
6-Propoxyhept-1-ene
CID 17825122

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxy-2-methylpent-1-ene?
The IUPAC name of 5-butan-2-yloxy-2-methylpent-1-ene (CID 123513431) is 5-butan-2-yloxy-2-methylpent-1-ene.
What is the SMILES notation for 5-butan-2-yloxy-2-methylpent-1-ene?
The canonical SMILES for 5-butan-2-yloxy-2-methylpent-1-ene is C=C(C)CCCOC(C)CC.
What is the InChIKey of 5-butan-2-yloxy-2-methylpent-1-ene?
The InChIKey is IDFOMEVJZJCPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-10(4)11-8-6-7-9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 5-butan-2-yloxy-2-methylpent-1-ene?
5-butan-2-yloxy-2-methylpent-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxy-2-methylpent-1-ene is sourced from PubChem (CID 123513431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).