oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate

C15H26O3 — CID 20622016

IUPACoxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)CC1C(=O)OC1CCCCO1
InChIInChI=1S/C15H26O3/c1-3-6-12-9-11(2)10-13(12)15(16)18-14-7-4-5-8-17-14/h11-14H,3-10H2,1-2H3
InChIKeySYWADGZSYJAGMX-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.52
Rot. Bonds4

About oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate

oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate (PubChem CID 20622016) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate
PubChem CID20622016
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameoxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)CC1C(=O)OC1CCCCO1
InChIInChI=1S/C15H26O3/c1-3-6-12-9-11(2)10-13(12)15(16)18-14-7-4-5-8-17-14/h11-14H,3-10H2,1-2H3
InChIKeySYWADGZSYJAGMX-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hexahydro-3-hydroxy-4,7-dimethyl-cyclopenta[c]pyran-1(3H)-one
CID 5249605
(3S,4R,4aR,7S,7aR)-3-hydroxy-4,7-dimethylhexahydrocyclopenta[c]pyran-1(3H)-one
CID 12313275
(6-Oxo-3-pentyloxan-2-yl) acetate
CID 277318
4-alpha,4a-alpha,7-alpha,7a-alpha-Dihydronepetalactone, 3-hydroxy
CID 6428312
(4aR,7S,7aR)-3-hydroxy-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
CID 12313274
Methyl 2-[3-(methoxymethyl)-2-(2-methoxy-2-oxoethyl)-4-(oxan-2-yloxy)cyclopentyl]acetate
CID 20440793
Oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
CID 20622015
1-Ethoxyethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661402
Ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661473
1-Ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
CID 20681882
Oxan-2-yl 2,4-dimethylcyclopentane-1-carboxylate
CID 20681973
1-Ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate
CID 20697962

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate?
The IUPAC name of oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate (CID 20622016) is oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate.
What is the SMILES notation for oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate?
The canonical SMILES for oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate is CCCC1CC(C)CC1C(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate?
The InChIKey is SYWADGZSYJAGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-6-12-9-11(2)10-13(12)15(16)18-14-7-4-5-8-17-14/h11-14H,3-10H2,1-2H3.
What are the key properties of oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate?
oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate is sourced from PubChem (CID 20622016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).