1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane

C10H18O — CID 176797238

IUPAC1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
SMILESCC(C)C12CC(C)(C1)OC2C
InChIInChI=1S/C10H18O/c1-7(2)10-5-9(4,6-10)11-8(10)3/h7-8H,5-6H2,1-4H3
InChIKeyZRZHGGQFANVJHU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds1

About 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane

1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane (PubChem CID 176797238) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
PubChem CID176797238
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
SMILESCC(C)C12CC(C)(C1)OC2C
InChIInChI=1S/C10H18O/c1-7(2)10-5-9(4,6-10)11-8(10)3/h7-8H,5-6H2,1-4H3
InChIKeyZRZHGGQFANVJHU-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 138040476
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
4,6-dimethyl-2,2-di(propan-2-yl)-1,3-dioxane
CID 70641039
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
(2S)-2,4-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 155082762
3-(2,3-dimethyloxiran-2-yl)butan-2-one
CID 24972629
1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol
CID 130142425
(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane
CID 131854769
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
CID 102491516
CID 102491516
3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 155649507
1-methyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 134166265

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane?
The IUPAC name of 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane (CID 176797238) is 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane.
What is the SMILES notation for 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane?
The canonical SMILES for 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane is CC(C)C12CC(C)(C1)OC2C.
What is the InChIKey of 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane?
The InChIKey is ZRZHGGQFANVJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)10-5-9(4,6-10)11-8(10)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane?
1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane is sourced from PubChem (CID 176797238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).