5,5-diethoxy-2-methylpent-1-ene

C10H20O2 — CID 131855560

IUPAC5,5-diethoxy-2-methylpent-1-ene
SMILESC=C(C)CCC(OCC)OCC
InChIInChI=1S/C10H20O2/c1-5-11-10(12-6-2)8-7-9(3)4/h10H,3,5-8H2,1-2,4H3
InChIKeyDANQVCWXGPDJTB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds7

About 5,5-diethoxy-2-methylpent-1-ene

5,5-diethoxy-2-methylpent-1-ene (PubChem CID 131855560) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5,5-diethoxy-2-methylpent-1-ene.

Molecular Properties

Compound Name5,5-diethoxy-2-methylpent-1-ene
PubChem CID131855560
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5,5-diethoxy-2-methylpent-1-ene
SMILESC=C(C)CCC(OCC)OCC
InChIInChI=1S/C10H20O2/c1-5-11-10(12-6-2)8-7-9(3)4/h10H,3,5-8H2,1-2,4H3
InChIKeyDANQVCWXGPDJTB-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-diethoxybutanethioamide
CID 100936326
9,9-diethoxynonane-2,6-dione
CID 14114892
3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
CID 114475977
(3-ethoxy-2,2,7-trimethyloct-7-en-4-yl)hydrazine
CID 105273739
ethyl 2-(5,5-diethoxy-2-methylpent-1-en-3-yl)-6-methylhept-6-enoate
CID 85354286
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494
6-methylhept-6-en-3-amine
CID 89243580
[1-(1-ethoxycyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105276293
[1-(4-ethoxyoxan-4-yl)-4-methylpent-4-enyl]hydrazine
CID 105276837
2-(3-methylbut-3-enyl)propane-1,3-diol
CID 140988004
potassium 3,3-diethoxypropan-1-olate
CID 23688415
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962

Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxy-2-methylpent-1-ene?
The IUPAC name of 5,5-diethoxy-2-methylpent-1-ene (CID 131855560) is 5,5-diethoxy-2-methylpent-1-ene.
What is the SMILES notation for 5,5-diethoxy-2-methylpent-1-ene?
The canonical SMILES for 5,5-diethoxy-2-methylpent-1-ene is C=C(C)CCC(OCC)OCC.
What is the InChIKey of 5,5-diethoxy-2-methylpent-1-ene?
The InChIKey is DANQVCWXGPDJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-11-10(12-6-2)8-7-9(3)4/h10H,3,5-8H2,1-2,4H3.
What are the key properties of 5,5-diethoxy-2-methylpent-1-ene?
5,5-diethoxy-2-methylpent-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxy-2-methylpent-1-ene is sourced from PubChem (CID 131855560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).