(4-propanoyloxycyclohexyl) 2-methylbutanoate

C14H24O4 — CID 91531963

IUPAC(4-propanoyloxycyclohexyl) 2-methylbutanoate
SMILESCCC(=O)OC1CCC(OC(=O)C(C)CC)CC1
InChIInChI=1S/C14H24O4/c1-4-10(3)14(16)18-12-8-6-11(7-9-12)17-13(15)5-2/h10-12H,4-9H2,1-3H3
InChIKeyXJGPRGCRWOTYQK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.84
Rot. Bonds5

About (4-propanoyloxycyclohexyl) 2-methylbutanoate

(4-propanoyloxycyclohexyl) 2-methylbutanoate (PubChem CID 91531963) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (4-propanoyloxycyclohexyl) 2-methylbutanoate.

Molecular Properties

Compound Name(4-propanoyloxycyclohexyl) 2-methylbutanoate
PubChem CID91531963
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(4-propanoyloxycyclohexyl) 2-methylbutanoate
SMILESCCC(=O)OC1CCC(OC(=O)C(C)CC)CC1
InChIInChI=1S/C14H24O4/c1-4-10(3)14(16)18-12-8-6-11(7-9-12)17-13(15)5-2/h10-12H,4-9H2,1-3H3
InChIKeyXJGPRGCRWOTYQK-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-4-yl 2-methylbutanoate
CID 18987401
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
(1,1-dioxothian-4-yl) 2-methylbutanoate
CID 166570819
(3-ethoxycyclopentyl) 2-methylbutanoate
CID 168840248
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate
CID 20826514
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-2-methylbutanoate
CID 131637782
acetamide;cyclopentyl propanoate
CID 143322096
(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013
cyclohexyl propanoate;dihydrochloride
CID 172803130
cyclopropyl 2-methylpropanoate
CID 54511576
cyclopropyl 2-methyl-3-nitropropanoate
CID 175163341
(5-hydroxyoxolan-3-yl) 2-methylbutanoate
CID 59372752

Frequently Asked Questions

What is the IUPAC name of (4-propanoyloxycyclohexyl) 2-methylbutanoate?
The IUPAC name of (4-propanoyloxycyclohexyl) 2-methylbutanoate (CID 91531963) is (4-propanoyloxycyclohexyl) 2-methylbutanoate.
What is the SMILES notation for (4-propanoyloxycyclohexyl) 2-methylbutanoate?
The canonical SMILES for (4-propanoyloxycyclohexyl) 2-methylbutanoate is CCC(=O)OC1CCC(OC(=O)C(C)CC)CC1.
What is the InChIKey of (4-propanoyloxycyclohexyl) 2-methylbutanoate?
The InChIKey is XJGPRGCRWOTYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-10(3)14(16)18-12-8-6-11(7-9-12)17-13(15)5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of (4-propanoyloxycyclohexyl) 2-methylbutanoate?
(4-propanoyloxycyclohexyl) 2-methylbutanoate has a molecular weight of 256.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propanoyloxycyclohexyl) 2-methylbutanoate is sourced from PubChem (CID 91531963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).