(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol

C9H16O2 — CID 86256502

IUPAC(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol
SMILESCC1(C)C(CO)CC2OC21C
InChIInChI=1S/C9H16O2/c1-8(2)6(5-10)4-7-9(8,3)11-7/h6-7,10H,4-5H2,1-3H3
InChIKeyXMEHTLDAXLFMCU-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.18
Rot. Bonds1

About (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol

(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol (PubChem CID 86256502) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol.

Molecular Properties

Compound Name(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol
PubChem CID86256502
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol
SMILESCC1(C)C(CO)CC2OC21C
InChIInChI=1S/C9H16O2/c1-8(2)6(5-10)4-7-9(8,3)11-7/h6-7,10H,4-5H2,1-3H3
InChIKeyXMEHTLDAXLFMCU-UHFFFAOYSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.18
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

[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 45084905
2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
CID 10725629
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
(3S,5R)-3-(hydroxymethyl)-7,7-dimethyl-2,6-dioxabicyclo[3.2.0]heptan-1-ol
CID 67724921
[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(2,2-dimethyl-3-propan-2-ylcyclobutyl)methanol
CID 175095277
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175
actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244

Frequently Asked Questions

What is the IUPAC name of (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol?
The IUPAC name of (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol (CID 86256502) is (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol.
What is the SMILES notation for (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol?
The canonical SMILES for (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol is CC1(C)C(CO)CC2OC21C.
What is the InChIKey of (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol?
The InChIKey is XMEHTLDAXLFMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)6(5-10)4-7-9(8,3)11-7/h6-7,10H,4-5H2,1-3H3.
What are the key properties of (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol?
(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol is sourced from PubChem (CID 86256502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).