1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane

C35H78O5 — CID 161108737

IUPAC1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane
SMILESCC(C)CC1CCCO1.CC(C)CCCCCCO.CC(C)CCCCO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C9H20O.C8H16O.C7H16O.C6H14O.C5H12O/c1-9(2)7-5-3-4-6-8-10;1-7(2)6-8-4-3-5-9-8;1-7(2)5-3-4-6-8;1-6(2)4-5-7-3;1-5(2)3-4-6/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyUJKKKJIPUXJSBK-UHFFFAOYSA-N
MW579.00 g/mol
LogP9.31
Rot. Bonds17

About 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane

1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane (PubChem CID 161108737) has the molecular formula C35H78O5 and a molecular weight of 579.00 g/mol. Its IUPAC name is 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane
PubChem CID161108737
Molecular FormulaC35H78O5
Molecular Weight579.00 g/mol
Exact Mass578.58
IUPAC Name1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane
SMILESCC(C)CC1CCCO1.CC(C)CCCCCCO.CC(C)CCCCO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C9H20O.C8H16O.C7H16O.C6H14O.C5H12O/c1-9(2)7-5-3-4-6-8-10;1-7(2)6-8-4-3-5-9-8;1-7(2)5-3-4-6-8;1-6(2)4-5-7-3;1-5(2)3-4-6/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyUJKKKJIPUXJSBK-UHFFFAOYSA-N
XLogP9.31
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.00
LogP ≤ 59.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-(2-methylpropyl)oxane
CID 58653197
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83819615
sodium;hydride;8-methylnonan-1-ol
CID 175362951
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
CID 62602456
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 70019824
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
CID 115724586
dimethyl-(4-methylpentoxy)-(oxolan-2-ylmethoxy)silane
CID 91696051

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane?
The IUPAC name of 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane (CID 161108737) is 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane.
What is the SMILES notation for 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane?
The canonical SMILES for 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane is CC(C)CC1CCCO1.CC(C)CCCCCCO.CC(C)CCCCO.CC(C)CCO.COCCC(C)C.
What is the InChIKey of 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane?
The InChIKey is UJKKKJIPUXJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C8H16O.C7H16O.C6H14O.C5H12O/c1-9(2)7-5-3-4-6-8-10;1-7(2)6-8-4-3-5-9-8;1-7(2)5-3-4-6-8;1-6(2)4-5-7-3;1-5(2)3-4-6/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane?
1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane has a molecular weight of 579.00 g/mol, XLogP of 9.31, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbutane;3-methylbutan-1-ol;5-methylhexan-1-ol;7-methyloctan-1-ol;2-(2-methylpropyl)oxolane is sourced from PubChem (CID 161108737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).