5-[tert-butyl(dimethyl)germyl]hexan-3-one

C12H26GeO — CID 101264597

IUPAC5-[tert-butyl(dimethyl)germyl]hexan-3-one
SMILESCCC(=O)CC(C)[Ge](C)(C)C(C)(C)C
InChIInChI=1S/C12H26GeO/c1-8-11(14)9-10(2)13(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyMELONQZXRAXRAO-UHFFFAOYSA-N
MW258.95 g/mol
LogP4.25
Rot. Bonds4

About 5-[tert-butyl(dimethyl)germyl]hexan-3-one

5-[tert-butyl(dimethyl)germyl]hexan-3-one (PubChem CID 101264597) has the molecular formula C12H26GeO and a molecular weight of 258.95 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)germyl]hexan-3-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)germyl]hexan-3-one
PubChem CID101264597
Molecular FormulaC12H26GeO
Molecular Weight258.95 g/mol
Exact Mass260.12
IUPAC Name5-[tert-butyl(dimethyl)germyl]hexan-3-one
SMILESCCC(=O)CC(C)[Ge](C)(C)C(C)(C)C
InChIInChI=1S/C12H26GeO/c1-8-11(14)9-10(2)13(6,7)12(3,4)5/h10H,8-9H2,1-7H3
InChIKeyMELONQZXRAXRAO-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.95
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methylnonane-3,7-dione
CID 58421184
(5R)-5-methylheptan-3-one
CID 6566014
5-hydroxy-5,6-dimethylheptan-3-one
CID 134924027
4-methyloctane-3,6-dione
CID 14711976
5,5-dihydroxyhexan-3-one
CID 57119015
2-bromo-4-oxohexanoic acid
CID 150980972
ditert-butyl 2-(4-oxohexan-2-yl)propanedioate
CID 10686746
5-ethylsulfonylhexan-3-one
CID 140915853
5-anilinohexan-3-one
CID 10397682
5-propanoylnonane-3,7-dione
CID 58659698
5-tributylstannylhexan-3-one
CID 14250102
benzene;pentan-3-one
CID 67378865

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)germyl]hexan-3-one?
The IUPAC name of 5-[tert-butyl(dimethyl)germyl]hexan-3-one (CID 101264597) is 5-[tert-butyl(dimethyl)germyl]hexan-3-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)germyl]hexan-3-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)germyl]hexan-3-one is CCC(=O)CC(C)[Ge](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)germyl]hexan-3-one?
The InChIKey is MELONQZXRAXRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26GeO/c1-8-11(14)9-10(2)13(6,7)12(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)germyl]hexan-3-one?
5-[tert-butyl(dimethyl)germyl]hexan-3-one has a molecular weight of 258.95 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)germyl]hexan-3-one is sourced from PubChem (CID 101264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).