ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane

C12H24O — CID 163302092

IUPACethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
SMILESCC.CC(C)C12COCC(C)(C1)C2
InChIInChI=1S/C10H18O.C2H6/c1-8(2)10-4-9(3,5-10)6-11-7-10;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyFPDVDTUHRVAZKP-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.49
Rot. Bonds1

About ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane

ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane (PubChem CID 163302092) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
PubChem CID163302092
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Nameethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
SMILESCC.CC(C)C12COCC(C)(C1)C2
InChIInChI=1S/C10H18O.C2H6/c1-8(2)10-4-9(3,5-10)6-11-7-10;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyFPDVDTUHRVAZKP-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The IUPAC name of ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane (CID 163302092) is ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane.
What is the SMILES notation for ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The canonical SMILES for ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane is CC.CC(C)C12COCC(C)(C1)C2.
What is the InChIKey of ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The InChIKey is FPDVDTUHRVAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C2H6/c1-8(2)10-4-9(3,5-10)6-11-7-10;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane has a molecular weight of 184.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane is sourced from PubChem (CID 163302092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).