ethane;6-methyl-2-oxaspiro[3.3]heptane

C9H18O — CID 144747206

IUPACethane;6-methyl-2-oxaspiro[3.3]heptane
SMILESCC.CC1CC2(COC2)C1
InChIInChI=1S/C7H12O.C2H6/c1-6-2-7(3-6)4-8-5-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyUVDAMKPYLQXJDZ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds

About ethane;6-methyl-2-oxaspiro[3.3]heptane

ethane;6-methyl-2-oxaspiro[3.3]heptane (PubChem CID 144747206) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is ethane;6-methyl-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;6-methyl-2-oxaspiro[3.3]heptane
PubChem CID144747206
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nameethane;6-methyl-2-oxaspiro[3.3]heptane
SMILESCC.CC1CC2(COC2)C1
InChIInChI=1S/C7H12O.C2H6/c1-6-2-7(3-6)4-8-5-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyUVDAMKPYLQXJDZ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-dimethyl-2-oxa-8-azaspiro[3.5]nonane;ethane
CID 178097454
2,6-dimethylspiro[3.3]heptane
CID 21304360
ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine
CID 156879805
ethane;2-methyl-7-oxaspiro[3.5]nonane
CID 144747152
acetaldehyde;2-methyl-6-oxaspiro[3.4]octane
CID 153364433
6-methoxy-2-oxaspiro[3.3]heptane
CID 90127740
2-oxaspiro[3.3]heptan-6-amine
CID 71303896
ethane;2-methylspiro[3.5]nonane
CID 164868147
(7S)-7-(bromomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 125456550
(7R)-7-(bromomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 125456552
7-(iodomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 131408680
spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]
CID 134691809

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-oxaspiro[3.3]heptane?
The IUPAC name of ethane;6-methyl-2-oxaspiro[3.3]heptane (CID 144747206) is ethane;6-methyl-2-oxaspiro[3.3]heptane.
What is the SMILES notation for ethane;6-methyl-2-oxaspiro[3.3]heptane?
The canonical SMILES for ethane;6-methyl-2-oxaspiro[3.3]heptane is CC.CC1CC2(COC2)C1.
What is the InChIKey of ethane;6-methyl-2-oxaspiro[3.3]heptane?
The InChIKey is UVDAMKPYLQXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-6-2-7(3-6)4-8-5-7;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2-oxaspiro[3.3]heptane?
ethane;6-methyl-2-oxaspiro[3.3]heptane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 144747206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).