ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol

C12H24O2 — CID 145222521

IUPACethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCC.CC1(C)CC(O)CC2(C)OC12C
InChIInChI=1S/C10H18O2.C2H6/c1-8(2)5-7(11)6-9(3)10(8,4)12-9;1-2/h7,11H,5-6H2,1-4H3;1-2H3
InChIKeyLWCWBSKZUCJYTI-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds

About ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol

ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol (PubChem CID 145222521) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Nameethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol
PubChem CID145222521
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCC.CC1(C)CC(O)CC2(C)OC12C
InChIInChI=1S/C10H18O2.C2H6/c1-8(2)5-7(11)6-9(3)10(8,4)12-9;1-2/h7,11H,5-6H2,1-4H3;1-2H3
InChIKeyLWCWBSKZUCJYTI-UHFFFAOYSA-N
XLogP2.74
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3S,6S)-1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-yl] acetate
CID 15375850
(1R,3S,6S)-6-[(3R,7S,12R,16R)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadecyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 155819286
(2E,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal
CID 6504642
methyl (2E,4E)-5-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3-methylpenta-2,4-dienoate
CID 15608902
(2E,4E,6E,8E,10E,12E,14E)-15-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal
CID 14235472
tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
CID 160951906
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
(1R,3S,6S)-6-[(1E,4E,8E,10E,14E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,4,8,10,14,17-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 172675340
(1R,3S,6S)-6-[(1E,3E,5E,7E,9Z,11E)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 14192310
1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
CID 6992729
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
(3R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 102146778

Frequently Asked Questions

What is the IUPAC name of ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The IUPAC name of ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol (CID 145222521) is ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol is CC.CC1(C)CC(O)CC2(C)OC12C.
What is the InChIKey of ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The InChIKey is LWCWBSKZUCJYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C2H6/c1-8(2)5-7(11)6-9(3)10(8,4)12-9;1-2/h7,11H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 145222521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).