(4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate

C16H26O3 — CID 155483082

IUPAC(4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCCC1CCC(COC(=O)C2CCC3O[C@@H]3C2)CC1
InChIInChI=1S/C16H26O3/c1-2-11-3-5-12(6-4-11)10-18-16(17)13-7-8-14-15(9-13)19-14/h11-15H,2-10H2,1H3/t11?,12?,13?,14?,15-/m1/s1
InChIKeyGCCRQWIYNXVDOG-ZPWMNFGTSA-N
MW266.38 g/mol
LogP3.31
Rot. Bonds4

About (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate

(4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 155483082) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Name(4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
PubChem CID155483082
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCCC1CCC(COC(=O)C2CCC3O[C@@H]3C2)CC1
InChIInChI=1S/C16H26O3/c1-2-11-3-5-12(6-4-11)10-18-16(17)13-7-8-14-15(9-13)19-14/h11-15H,2-10H2,1H3/t11?,12?,13?,14?,15-/m1/s1
InChIKeyGCCRQWIYNXVDOG-ZPWMNFGTSA-N
XLogP3.31
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[4-[[(1S)-7-oxabicyclo[4.1.0]heptane-3-carbonyl]oxymethyl]cyclohexyl]methyl (1S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 89484746
[4-[[(1R)-7-oxabicyclo[4.1.0]heptane-3-carbonyl]oxymethyl]cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 146369656
[(3R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (3S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 166762136
[4-[[(6R)-bicyclo[4.1.0]heptane-3-carbonyl]oxymethyl]cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 89286397
[4-[(2-methyloxane-4-carbonyl)oxymethyl]cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 118214226
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;bis(3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane)
CID 158857090
[4-(7-oxabicyclo[4.1.0]heptane-3-carboximidoyloxymethyl)cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 155350691
[4-(6-oxabicyclo[3.1.1]heptane-2-carbonyloxymethyl)cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 134391793
ethyl (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 57416186
[(4R)-3-hydroxy-4-methylcyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 146576482
7-oxabicyclo[4.2.0]octan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 91059621
ethane;(2-methyloxan-4-yl)methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 142894147

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate (CID 155483082) is (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate is CCC1CCC(COC(=O)C2CCC3O[C@@H]3C2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is GCCRQWIYNXVDOG-ZPWMNFGTSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-11-3-5-12(6-4-11)10-18-16(17)13-7-8-14-15(9-13)19-14/h11-15H,2-10H2,1H3/t11?,12?,13?,14?,15-/m1/s1.
What are the key properties of (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
(4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 155483082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).