(1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate

C15H26O2 — CID 159484080

IUPAC(1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CCC2(C)CC21C
InChIInChI=1S/C15H26O2/c1-7-12(2,3)11(16)17-15(6)9-8-13(4)10-14(13,15)5/h7-10H2,1-6H3
InChIKeyZDLTYIIJWWZREO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.93
Rot. Bonds3

About (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate

(1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate (PubChem CID 159484080) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
PubChem CID159484080
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CCC2(C)CC21C
InChIInChI=1S/C15H26O2/c1-7-12(2,3)11(16)17-15(6)9-8-13(4)10-14(13,15)5/h7-10H2,1-6H3
InChIKeyZDLTYIIJWWZREO-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate with MolForge

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Related Compounds

(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;ethane
CID 123818248
(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate
CID 159484078
(1,2,2,3,3,4-hexamethylcyclopentyl) 2,2-dimethylbutanoate
CID 163658734
(3,4,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 121368423
[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 121368377
(4-methyl-1,1-dioxothian-4-yl) 2,2-dimethylbutanoate
CID 165070592
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243
(1-chloro-2,2,4,6,6-pentamethylpiperidin-4-yl) 2,2-dimethylbutanoate
CID 122606109
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 134352495
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
(1-ethenylcyclopentyl) 2,2-dimethylbutanoate
CID 121402444

Frequently Asked Questions

What is the IUPAC name of (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
The IUPAC name of (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate (CID 159484080) is (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
The canonical SMILES for (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)CCC2(C)CC21C.
What is the InChIKey of (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
The InChIKey is ZDLTYIIJWWZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-7-12(2,3)11(16)17-15(6)9-8-13(4)10-14(13,15)5/h7-10H2,1-6H3.
What are the key properties of (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate?
(1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,5-trimethyl-2-bicyclo[3.1.0]hexanyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 159484080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).