(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate

C15H30O3 — CID 166750043

IUPAC(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate
SMILESCC(C)OCCCCC(C)(C)OC(=O)C(C)(C)C
InChIInChI=1S/C15H30O3/c1-12(2)17-11-9-8-10-15(6,7)18-13(16)14(3,4)5/h12H,8-11H2,1-7H3
InChIKeyLHQYELXDWFWQCR-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.95
Rot. Bonds7

About (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate

(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate (PubChem CID 166750043) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate
PubChem CID166750043
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate
SMILESCC(C)OCCCCC(C)(C)OC(=O)C(C)(C)C
InChIInChI=1S/C15H30O3/c1-12(2)17-11-9-8-10-15(6,7)18-13(16)14(3,4)5/h12H,8-11H2,1-7H3
InChIKeyLHQYELXDWFWQCR-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
(2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate
CID 123647197
4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
CID 88972268
1,6-di(propan-2-yloxy)hexane
CID 10899702
methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81062130
propan-2-amine;propan-2-yl 2,2-dimethylpropanoate;3-propan-2-yloxypropane-1-sulfonic acid
CID 158271977
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
(2,3,3-trimethyl-4-oxo-9-propan-2-yloxynonan-2-yl) 2-propan-2-yloxypropanoate
CID 89079295
1-(2-hydroxy-2,3-dimethylbutyl)-3-(3-propan-2-yloxypropyl)urea
CID 111120811
tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate
CID 94133666

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate (CID 166750043) is (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate is CC(C)OCCCCC(C)(C)OC(=O)C(C)(C)C.
What is the InChIKey of (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate?
The InChIKey is LHQYELXDWFWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-12(2)17-11-9-8-10-15(6,7)18-13(16)14(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate?
(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate has a molecular weight of 258.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 166750043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).