(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate

C14H24O2 — CID 159484078

IUPAC(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CCC2CC21C
InChIInChI=1S/C14H24O2/c1-6-12(2,3)11(15)16-14(5)8-7-10-9-13(10,14)4/h10H,6-9H2,1-5H3
InChIKeyPEPDUTGXLMQQLT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.54
Rot. Bonds3

About (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate

(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate (PubChem CID 159484078) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
PubChem CID159484078
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CCC2CC21C
InChIInChI=1S/C14H24O2/c1-6-12(2,3)11(15)16-14(5)8-7-10-9-13(10,14)4/h10H,6-9H2,1-5H3
InChIKeyPEPDUTGXLMQQLT-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;ethane
CID 123818248
(1,2,2,3,3,4-hexamethylcyclopentyl) 2,2-dimethylbutanoate
CID 163658734
(1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
CID 159484080
(1,5-dimethyl-2-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate
CID 58602219
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
(2-ethyl-5-methyl-2-adamantyl) 2,2-dimethylbutanoate
CID 67473183
1-adamantyl 2,2-dimethylbutanoate;methanol
CID 90799971
1-(3,4-dimethoxy-3,4-dimethylcyclohexyl)ethyl 2,2-dimethylbutanoate
CID 164729473
(3,4,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 121368423
[1-ethyl-4-(2-methylbutan-2-yl)cyclohexyl] 2,2-dimethylbutanoate
CID 118227596
(4-methyl-1,1-dioxothian-4-yl) 2,2-dimethylbutanoate
CID 165070592

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
The IUPAC name of (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate (CID 159484078) is (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
The canonical SMILES for (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)CCC2CC21C.
What is the InChIKey of (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
The InChIKey is PEPDUTGXLMQQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-12(2,3)11(15)16-14(5)8-7-10-9-13(10,14)4/h10H,6-9H2,1-5H3.
What are the key properties of (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate has a molecular weight of 224.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 159484078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).