1,1,5,5-tetramethoxy-2-methylpentane

C10H22O4 — CID 3017889

IUPAC1,1,5,5-tetramethoxy-2-methylpentane
SMILESCOC(CCC(C)C(OC)OC)OC
InChIInChI=1S/C10H22O4/c1-8(10(13-4)14-5)6-7-9(11-2)12-3/h8-10H,6-7H2,1-5H3
InChIKeyJBEZZHPFGNHYEV-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.64
Rot. Bonds8

About 1,1,5,5-tetramethoxy-2-methylpentane

1,1,5,5-tetramethoxy-2-methylpentane (PubChem CID 3017889) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,1,5,5-tetramethoxy-2-methylpentane.

Molecular Properties

Compound Name1,1,5,5-tetramethoxy-2-methylpentane
PubChem CID3017889
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,1,5,5-tetramethoxy-2-methylpentane
SMILESCOC(CCC(C)C(OC)OC)OC
InChIInChI=1S/C10H22O4/c1-8(10(13-4)14-5)6-7-9(11-2)12-3/h8-10H,6-7H2,1-5H3
InChIKeyJBEZZHPFGNHYEV-UHFFFAOYSA-N
XLogP1.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 57182943
CID 57182943
[(3S)-4,4-dimethoxy-3-methylbutyl] methanesulfonate
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2-fluoro-5,5-dimethoxypentanal
CID 55267389
(2S,4R)-7,7-dimethoxyheptane-2,4-diamine
CID 11229262
2-(3,3-dimethoxypropyl)propane-1,3-diol
CID 19350817
2-methoxy-5,6,9-trimethyldecane
CID 144623899
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
3-iodo-1,1-dimethoxypropane
CID 11042538
2-(3,3-dimethoxypropyl)propanedioic acid
CID 88660648
(E)-1,1,8,8-tetramethoxyoct-4-ene
CID 15239126
(3,3-dimethoxy-2-methylpropyl)-dimethoxy-methylsilane
CID 87575551
2,5-dimethyl-1,1-bis(prop-2-enylperoxy)hexane
CID 19816382

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetramethoxy-2-methylpentane?
The IUPAC name of 1,1,5,5-tetramethoxy-2-methylpentane (CID 3017889) is 1,1,5,5-tetramethoxy-2-methylpentane.
What is the SMILES notation for 1,1,5,5-tetramethoxy-2-methylpentane?
The canonical SMILES for 1,1,5,5-tetramethoxy-2-methylpentane is COC(CCC(C)C(OC)OC)OC.
What is the InChIKey of 1,1,5,5-tetramethoxy-2-methylpentane?
The InChIKey is JBEZZHPFGNHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-8(10(13-4)14-5)6-7-9(11-2)12-3/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,1,5,5-tetramethoxy-2-methylpentane?
1,1,5,5-tetramethoxy-2-methylpentane has a molecular weight of 206.28 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetramethoxy-2-methylpentane is sourced from PubChem (CID 3017889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).