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

C95H210O10 — CID 161175838

IUPAC3-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
SMILESCC(C)CCCCCCCCCCCO.CC(C)CCCCCCCCCCO.CC(C)CCCCCCCCCO.CC(C)CCCCCCCCO.CC(C)CCCCCCCO.CC(C)CCCCCCO.CC(C)CCCCCO.CC(C)CCCCO.CC(C)CCCO.CC(C)CCO
InChIInChI=1S/C14H30O.C13H28O.C12H26O.C11H24O.C10H22O.C9H20O.C8H18O.C7H16O.C6H14O.C5H12O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15;1-13(2)11-9-7-5-3-4-6-8-10-12-14;1-12(2)10-8-6-4-3-5-7-9-11-13;1-11(2)9-7-5-3-4-6-8-10-12;1-10(2)8-6-4-3-5-7-9-11;1-9(2)7-5-3-4-6-8-10;1-8(2)6-4-3-5-7-9;1-7(2)5-3-4-6-8;1-6(2)4-3-5-7;1-5(2)3-4-6/h14-15H,3-13H2,1-2H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyURUIYPYAEWBMNO-UHFFFAOYSA-N
MW1512.71 g/mol
LogP27.80
Rot. Bonds65

About 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

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 (PubChem CID 161175838) has the molecular formula C95H210O10 and a molecular weight of 1512.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161175838
Molecular FormulaC95H210O10
Molecular Weight1512.71 g/mol
Exact Mass1511.59
IUPAC Name3-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
SMILESCC(C)CCCCCCCCCCCO.CC(C)CCCCCCCCCCO.CC(C)CCCCCCCCCO.CC(C)CCCCCCCCO.CC(C)CCCCCCCO.CC(C)CCCCCCO.CC(C)CCCCCO.CC(C)CCCCO.CC(C)CCCO.CC(C)CCO
InChIInChI=1S/C14H30O.C13H28O.C12H26O.C11H24O.C10H22O.C9H20O.C8H18O.C7H16O.C6H14O.C5H12O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15;1-13(2)11-9-7-5-3-4-6-8-10-12-14;1-12(2)10-8-6-4-3-5-7-9-11-13;1-11(2)9-7-5-3-4-6-8-10-12;1-10(2)8-6-4-3-5-7-9-11;1-9(2)7-5-3-4-6-8-10;1-8(2)6-4-3-5-7-9;1-7(2)5-3-4-6-8;1-6(2)4-3-5-7;1-5(2)3-4-6/h14-15H,3-13H2,1-2H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyURUIYPYAEWBMNO-UHFFFAOYSA-N
XLogP27.80
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds65
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.71
LogP ≤ 527.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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CID 174818152
3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol
CID 159995957
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CID 175523375
6-methylheptan-1-ol;phosphoric acid
CID 138394969

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCCCCCCCCCCO.CC(C)CCCCCCCCCCO.CC(C)CCCCCCCCCO.CC(C)CCCCCCCCO.CC(C)CCCCCCCO.CC(C)CCCCCCO.CC(C)CCCCCO.CC(C)CCCCO.CC(C)CCCO.CC(C)CCO.
What is the InChIKey of 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?
The InChIKey is URUIYPYAEWBMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C13H28O.C12H26O.C11H24O.C10H22O.C9H20O.C8H18O.C7H16O.C6H14O.C5H12O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15;1-13(2)11-9-7-5-3-4-6-8-10-12-14;1-12(2)10-8-6-4-3-5-7-9-11-13;1-11(2)9-7-5-3-4-6-8-10-12;1-10(2)8-6-4-3-5-7-9-11;1-9(2)7-5-3-4-6-8-10;1-8(2)6-4-3-5-7-9;1-7(2)5-3-4-6-8;1-6(2)4-3-5-7;1-5(2)3-4-6/h14-15H,3-13H2,1-2H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1512.71 g/mol, XLogP of 27.80, 65 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161175838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).