oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate

C16H28O3 — CID 20622015

IUPACoxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)CC1(C)C(=O)OC1CCCCO1
InChIInChI=1S/C16H28O3/c1-4-7-13-10-12(2)11-16(13,3)15(17)19-14-8-5-6-9-18-14/h12-14H,4-11H2,1-3H3
InChIKeyWFEZOMWOHZYKSO-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.91
Rot. Bonds4

About oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate

oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate (PubChem CID 20622015) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
PubChem CID20622015
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nameoxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)CC1(C)C(=O)OC1CCCCO1
InChIInChI=1S/C16H28O3/c1-4-7-13-10-12(2)11-16(13,3)15(17)19-14-8-5-6-9-18-14/h12-14H,4-11H2,1-3H3
InChIKeyWFEZOMWOHZYKSO-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20622016
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-ylcyclopentane-1-carboxylate
CID 20697963
1-Ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate
CID 20697965
Oxan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
CID 20698007
3-ethoxy-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
CID 21035798
Oxan-2-yl 5-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 21339994
1-Ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate
CID 21351440
Methyl 3-(2,4-diethylcyclopentyl)-3-(oxan-2-yloxy)propanoate
CID 21351641

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
The IUPAC name of oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate (CID 20622015) is oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate.
What is the SMILES notation for oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
The canonical SMILES for oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate is CCCC1CC(C)CC1(C)C(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
The InChIKey is WFEZOMWOHZYKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-4-7-13-10-12(2)11-16(13,3)15(17)19-14-8-5-6-9-18-14/h12-14H,4-11H2,1-3H3.
What are the key properties of oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate is sourced from PubChem (CID 20622015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).