2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane

C14H26O2 — CID 11053360

IUPAC2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC1CCCO1
InChIInChI=1S/C14H26O2/c1-10(2)12-7-6-11(3)9-13(12)16-14-5-4-8-15-14/h10-14H,4-9H2,1-3H3/t11-,12+,13-,14?/m1/s1
InChIKeyIHSSGCVMPVWUPO-RBKKPWLPSA-N
MW226.36 g/mol
LogP3.60
Rot. Bonds3

About 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane (PubChem CID 11053360) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane
PubChem CID11053360
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC1CCCO1
InChIInChI=1S/C14H26O2/c1-10(2)12-7-6-11(3)9-13(12)16-14-5-4-8-15-14/h10-14H,4-9H2,1-3H3/t11-,12+,13-,14?/m1/s1
InChIKeyIHSSGCVMPVWUPO-RBKKPWLPSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane?
The IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane (CID 11053360) is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane.
What is the SMILES notation for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane?
The canonical SMILES for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC1CCCO1.
What is the InChIKey of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane?
The InChIKey is IHSSGCVMPVWUPO-RBKKPWLPSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)12-7-6-11(3)9-13(12)16-14-5-4-8-15-14/h10-14H,4-9H2,1-3H3/t11-,12+,13-,14?/m1/s1.
What are the key properties of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane?
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane has a molecular weight of 226.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolane is sourced from PubChem (CID 11053360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).