(1-cyclopropyl-2-methylpropan-2-yl) acetate

C9H16O2 — CID 174859828

IUPAC(1-cyclopropyl-2-methylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CC1CC1
InChIInChI=1S/C9H16O2/c1-7(10)11-9(2,3)6-8-4-5-8/h8H,4-6H2,1-3H3
InChIKeySTVOMRXKVZAXQV-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds3

About (1-cyclopropyl-2-methylpropan-2-yl) acetate

(1-cyclopropyl-2-methylpropan-2-yl) acetate (PubChem CID 174859828) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1-cyclopropyl-2-methylpropan-2-yl) acetate.

Molecular Properties

Compound Name(1-cyclopropyl-2-methylpropan-2-yl) acetate
PubChem CID174859828
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1-cyclopropyl-2-methylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CC1CC1
InChIInChI=1S/C9H16O2/c1-7(10)11-9(2,3)6-8-4-5-8/h8H,4-6H2,1-3H3
InChIKeySTVOMRXKVZAXQV-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethynyl-4-hydroxycyclohexyl)-2-methylpropan-2-yl] acetate
CID 142763231
(1-cyclopropyl-2-methylpropan-2-yl) 2,2,2-trifluoroacetate
CID 149076499
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
CID 174531197
[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride
CID 174615976
[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate
CID 142924239
(4-acetyloxy-2,4-dimethylpentan-2-yl) acetate;methane
CID 161391637
[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate
CID 163849586
tert-butyl acetate;cyclopropanamine
CID 174763638
2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
CID 20767497
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 175818033
[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 175269428

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2-methylpropan-2-yl) acetate?
The IUPAC name of (1-cyclopropyl-2-methylpropan-2-yl) acetate (CID 174859828) is (1-cyclopropyl-2-methylpropan-2-yl) acetate.
What is the SMILES notation for (1-cyclopropyl-2-methylpropan-2-yl) acetate?
The canonical SMILES for (1-cyclopropyl-2-methylpropan-2-yl) acetate is CC(=O)OC(C)(C)CC1CC1.
What is the InChIKey of (1-cyclopropyl-2-methylpropan-2-yl) acetate?
The InChIKey is STVOMRXKVZAXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)11-9(2,3)6-8-4-5-8/h8H,4-6H2,1-3H3.
What are the key properties of (1-cyclopropyl-2-methylpropan-2-yl) acetate?
(1-cyclopropyl-2-methylpropan-2-yl) acetate has a molecular weight of 156.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-methylpropan-2-yl) acetate is sourced from PubChem (CID 174859828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).