2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole

C13H23NO — CID 145326253

IUPAC2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole
SMILESC1CCC(N2CC3CCCCC3O2)CC1
InChIInChI=1S/C13H23NO/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13(11)15-14/h11-13H,1-10H2
InChIKeyFPGQXCXNAZCUPB-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.13
Rot. Bonds1

About 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole

2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole (PubChem CID 145326253) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole.

Molecular Properties

Compound Name2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole
PubChem CID145326253
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole
SMILESC1CCC(N2CC3CCCCC3O2)CC1
InChIInChI=1S/C13H23NO/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13(11)15-14/h11-13H,1-10H2
InChIKeyFPGQXCXNAZCUPB-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexylcycloheptane
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cyclononylcycloicosane
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(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
3-cyclohexyl-3-azabicyclo[3.1.0]hexane
CID 142330158
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
azane;cyclohexylcyclohexane
CID 66583255
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole?
The IUPAC name of 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole (CID 145326253) is 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole.
What is the SMILES notation for 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole?
The canonical SMILES for 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole is C1CCC(N2CC3CCCCC3O2)CC1.
What is the InChIKey of 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole?
The InChIKey is FPGQXCXNAZCUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13(11)15-14/h11-13H,1-10H2.
What are the key properties of 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole?
2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole has a molecular weight of 209.33 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3a,4,5,6,7,7a-hexahydro-3H-1,2-benzoxazole is sourced from PubChem (CID 145326253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).