ethane;1-methyl-7-oxabicyclo[2.2.1]heptane

C9H18O — CID 142533479

IUPACethane;1-methyl-7-oxabicyclo[2.2.1]heptane
SMILESCC.CC12CCC(CC1)O2
InChIInChI=1S/C7H12O.C2H6/c1-7-4-2-6(8-7)3-5-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyGZZAPWCHXSMAIK-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.74
Rot. Bonds

About ethane;1-methyl-7-oxabicyclo[2.2.1]heptane

ethane;1-methyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 142533479) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is ethane;1-methyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;1-methyl-7-oxabicyclo[2.2.1]heptane
PubChem CID142533479
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nameethane;1-methyl-7-oxabicyclo[2.2.1]heptane
SMILESCC.CC12CCC(CC1)O2
InChIInChI=1S/C7H12O.C2H6/c1-7-4-2-6(8-7)3-5-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyGZZAPWCHXSMAIK-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-methyl-7-oxabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
CID 168795726
1-methyl-2,3-dioxabicyclo[2.2.1]heptane
CID 536240
7-oxabicyclo[2.2.1]heptan-1-ylmethanamine
CID 125458515
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
1-propyl-5-oxabicyclo[2.1.1]hexane
CID 163865602
2-(1-methyl-2-oxabicyclo[2.2.2]octan-3-yl)acetic acid
CID 12842623
5,5-dimethyloxolan-2-ol;ethane
CID 142894626
(1S,4R)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 11423597
4-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 72814695
(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 130151113

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of ethane;1-methyl-7-oxabicyclo[2.2.1]heptane (CID 142533479) is ethane;1-methyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;1-methyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;1-methyl-7-oxabicyclo[2.2.1]heptane is CC.CC12CCC(CC1)O2.
What is the InChIKey of ethane;1-methyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is GZZAPWCHXSMAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-7-4-2-6(8-7)3-5-7;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-7-oxabicyclo[2.2.1]heptane?
ethane;1-methyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 142.24 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 142533479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).