(1-tert-butylcyclopropyl)methyl acetate

C10H18O2 — CID 89402636

IUPAC(1-tert-butylcyclopropyl)methyl acetate
SMILESCC(=O)OCC1(C(C)(C)C)CC1
InChIInChI=1S/C10H18O2/c1-8(11)12-7-10(5-6-10)9(2,3)4/h5-7H2,1-4H3
InChIKeyJDQVSBYBSCBQAI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds2

About (1-tert-butylcyclopropyl)methyl acetate

(1-tert-butylcyclopropyl)methyl acetate (PubChem CID 89402636) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1-tert-butylcyclopropyl)methyl acetate.

Molecular Properties

Compound Name(1-tert-butylcyclopropyl)methyl acetate
PubChem CID89402636
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1-tert-butylcyclopropyl)methyl acetate
SMILESCC(=O)OCC1(C(C)(C)C)CC1
InChIInChI=1S/C10H18O2/c1-8(11)12-7-10(5-6-10)9(2,3)4/h5-7H2,1-4H3
InChIKeyJDQVSBYBSCBQAI-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-tert-butylcyclopentyl)methyl acetate
CID 21363579
(1-tert-butylcyclopentyl)methyl 2,2-dimethylpropanoate
CID 90148547
5-(1-tert-butylcyclopropyl)pentyl acetate
CID 138647470
(1-aminocyclopropyl)methyl acetate
CID 150213578
(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
CID 156768140
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483
[1-(sulfanylmethyl)cyclopropyl]methyl acetate
CID 150919960
3-(acetyloxymethyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 70230096
1-tert-butyl-1-ethylcyclopropane
CID 58798513
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232
(1-prop-1-en-2-ylcyclobutyl)methyl acetate
CID 154240293

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclopropyl)methyl acetate?
The IUPAC name of (1-tert-butylcyclopropyl)methyl acetate (CID 89402636) is (1-tert-butylcyclopropyl)methyl acetate.
What is the SMILES notation for (1-tert-butylcyclopropyl)methyl acetate?
The canonical SMILES for (1-tert-butylcyclopropyl)methyl acetate is CC(=O)OCC1(C(C)(C)C)CC1.
What is the InChIKey of (1-tert-butylcyclopropyl)methyl acetate?
The InChIKey is JDQVSBYBSCBQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(11)12-7-10(5-6-10)9(2,3)4/h5-7H2,1-4H3.
What are the key properties of (1-tert-butylcyclopropyl)methyl acetate?
(1-tert-butylcyclopropyl)methyl acetate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclopropyl)methyl acetate is sourced from PubChem (CID 89402636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).