oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate

C16H28O3 — CID 20698004

IUPACoxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1CC(C)C(C(=O)OC2CCCO2)C(C)C1
InChIInChI=1S/C16H28O3/c1-10(2)13-8-11(3)15(12(4)9-13)16(17)19-14-6-5-7-18-14/h10-15H,5-9H2,1-4H3
InChIKeyQYXRXVHMNZVWRQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.62
Rot. Bonds3

About oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate

oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 20698004) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameoxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate
PubChem CID20698004
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nameoxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1CC(C)C(C(=O)OC2CCCO2)C(C)C1
InChIInChI=1S/C16H28O3/c1-10(2)13-8-11(3)15(12(4)9-13)16(17)19-14-6-5-7-18-14/h10-15H,5-9H2,1-4H3
InChIKeyQYXRXVHMNZVWRQ-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4-butyl-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 11392312
(3aS,7aR)-3-methoxy-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 15933481
5-Methoxy-4-[(1-methylcyclohexyl)methyl]oxolan-2-one
CID 134850270
1-[1-(3-Propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate
CID 20697956
1-[4-[1-(3-Propan-2-ylcyclohexanecarbonyl)oxyethoxy]butoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate
CID 20697958
1-Ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate
CID 20697962
1-Ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate
CID 20697964
1-Ethoxypropyl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
CID 20697966
Oxolan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
CID 20698005
1-Ethoxyethyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
CID 20724639
1-Ethoxyethyl 4-propan-2-ylcyclohexane-1-carboxylate
CID 20724641
1-Ethoxypropyl 2-ethyl-4-propan-2-ylcyclohexane-1-carboxylate
CID 20724642

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate (CID 20698004) is oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate is CC(C)C1CC(C)C(C(=O)OC2CCCO2)C(C)C1.
What is the InChIKey of oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is QYXRXVHMNZVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-10(2)13-8-11(3)15(12(4)9-13)16(17)19-14-6-5-7-18-14/h10-15H,5-9H2,1-4H3.
What are the key properties of oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate?
oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 2,6-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 20698004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).