7-methyl-1-oxaspiro[3.5]nonane

C9H16O — CID 13122476

IUPAC7-methyl-1-oxaspiro[3.5]nonane
SMILESCC1CCC2(CCO2)CC1
InChIInChI=1S/C9H16O/c1-8-2-4-9(5-3-8)6-7-10-9/h8H,2-7H2,1H3
InChIKeyASZWDQUSNGDYGB-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds

About 7-methyl-1-oxaspiro[3.5]nonane

7-methyl-1-oxaspiro[3.5]nonane (PubChem CID 13122476) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 7-methyl-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-1-oxaspiro[3.5]nonane
PubChem CID13122476
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name7-methyl-1-oxaspiro[3.5]nonane
SMILESCC1CCC2(CCO2)CC1
InChIInChI=1S/C9H16O/c1-8-2-4-9(5-3-8)6-7-10-9/h8H,2-7H2,1H3
InChIKeyASZWDQUSNGDYGB-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Oxaspiro(3.5)nonane
CID 243293
Cyclohexane, [(1,1-dimethylethoxy)methyl]-
CID 10877561
Cyclohexane, (1-ethoxy-1-methylethyl)-
CID 175128
1,5-Cineole
CID 157009860
7-tert-Butyl-1-oxaspiro[3.5]nonane
CID 12552527
(1,3-Epoxypropyl)cyclohexane
CID 12709676
(--)Menthyl-ethyl-ether
CID 19917620
2-(trans-4-Propylcyclohexyl)oxetane
CID 17785885
2-(4-Pentylcyclohexyl)oxetane
CID 57938048
1-(2-Methoxy-2-methylpropyl)-4-methylcyclohexane
CID 141523372
(4S)-4,8-dimethyl-1-oxaspiro[4.5]decane
CID 155629852
(2S,3R)-2,3-dimethyl-2-(4-methylpentyl)oxetane
CID 12129130

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-oxaspiro[3.5]nonane?
The IUPAC name of 7-methyl-1-oxaspiro[3.5]nonane (CID 13122476) is 7-methyl-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-1-oxaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-1-oxaspiro[3.5]nonane is CC1CCC2(CCO2)CC1.
What is the InChIKey of 7-methyl-1-oxaspiro[3.5]nonane?
The InChIKey is ASZWDQUSNGDYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8-2-4-9(5-3-8)6-7-10-9/h8H,2-7H2,1H3.
What are the key properties of 7-methyl-1-oxaspiro[3.5]nonane?
7-methyl-1-oxaspiro[3.5]nonane has a molecular weight of 140.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 13122476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).