3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane

C16H28O — CID 70443694

IUPAC3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane
SMILESCC12CCC(C1)C(OC1CCCCC1)C2(C)C
InChIInChI=1S/C16H28O/c1-15(2)14(12-9-10-16(15,3)11-12)17-13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyFFHNVXDOEBQBKI-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.55
Rot. Bonds2

About 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane

3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane (PubChem CID 70443694) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane
PubChem CID70443694
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane
SMILESCC12CCC(C1)C(OC1CCCCC1)C2(C)C
InChIInChI=1S/C16H28O/c1-15(2)14(12-9-10-16(15,3)11-12)17-13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyFFHNVXDOEBQBKI-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane (CID 70443694) is 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane is CC12CCC(C1)C(OC1CCCCC1)C2(C)C.
What is the InChIKey of 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane?
The InChIKey is FFHNVXDOEBQBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-15(2)14(12-9-10-16(15,3)11-12)17-13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane?
3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane has a molecular weight of 236.40 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-1,2,2-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 70443694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).