ethane;2-methyl-7-oxaspiro[3.5]nonane

C11H22O — CID 144747152

IUPACethane;2-methyl-7-oxaspiro[3.5]nonane
SMILESCC.CC1CC2(CCOCC2)C1
InChIInChI=1S/C9H16O.C2H6/c1-8-6-9(7-8)2-4-10-5-3-9;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyUWCXETBHDXZLJD-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds

About ethane;2-methyl-7-oxaspiro[3.5]nonane

ethane;2-methyl-7-oxaspiro[3.5]nonane (PubChem CID 144747152) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;2-methyl-7-oxaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-methyl-7-oxaspiro[3.5]nonane
PubChem CID144747152
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameethane;2-methyl-7-oxaspiro[3.5]nonane
SMILESCC.CC1CC2(CCOCC2)C1
InChIInChI=1S/C9H16O.C2H6/c1-8-6-9(7-8)2-4-10-5-3-9;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyUWCXETBHDXZLJD-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethylspiro[3.3]heptane
CID 21304360
acetaldehyde;2-methyl-6-oxaspiro[3.4]octane
CID 153364433
ethane;2-methylspiro[3.5]nonane
CID 164868147
ethane;6-methyl-2-oxaspiro[3.3]heptane
CID 144747206
4-methyl-9-oxa-2-azaspiro[5.5]undecan-2-amine
CID 169184431
7-oxaspiro[3.5]nonan-2-ylazanium
CID 172615454
N,N-dimethyl-7-oxaspiro[3.5]nonan-2-amine
CID 170133598
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
7-oxaspiro[3.5]nonan-2-ylmethanol
CID 115012159
8-methyl-2-oxaspiro[4.5]decane
CID 118029245
2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane
CID 177218275

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-oxaspiro[3.5]nonane?
The IUPAC name of ethane;2-methyl-7-oxaspiro[3.5]nonane (CID 144747152) is ethane;2-methyl-7-oxaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-methyl-7-oxaspiro[3.5]nonane?
The canonical SMILES for ethane;2-methyl-7-oxaspiro[3.5]nonane is CC.CC1CC2(CCOCC2)C1.
What is the InChIKey of ethane;2-methyl-7-oxaspiro[3.5]nonane?
The InChIKey is UWCXETBHDXZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C2H6/c1-8-6-9(7-8)2-4-10-5-3-9;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-7-oxaspiro[3.5]nonane?
ethane;2-methyl-7-oxaspiro[3.5]nonane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7-oxaspiro[3.5]nonane is sourced from PubChem (CID 144747152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).