3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane

C10H18O2 — CID 24971562

IUPAC3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane
SMILESCC1CC2(CO1)COC(C)(C)C2
InChIInChI=1S/C10H18O2/c1-8-4-10(6-11-8)5-9(2,3)12-7-10/h8H,4-7H2,1-3H3
InChIKeyKIQOVRNIAYZBJS-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds

About 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane

3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane (PubChem CID 24971562) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane
PubChem CID24971562
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane
SMILESCC1CC2(CO1)COC(C)(C)C2
InChIInChI=1S/C10H18O2/c1-8-4-10(6-11-8)5-9(2,3)12-7-10/h8H,4-7H2,1-3H3
InChIKeyKIQOVRNIAYZBJS-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-6-oxa-2-azaspiro[3.4]octane;hydrochloride
CID 165475352
(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]
CID 166439861
2,2,4,6,6-pentamethyloxepane
CID 176567724
(5R)-3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane
CID 98042391
2,2-dimethyloxirane;methanol
CID 161373463
(2S)-2,4-dimethyl-4-propyloxolane
CID 135257246
(3S,5S)-3,5-dimethyloxolane-3-carboxylic acid
CID 125452595
3,3-dimethyl-N-propyl-2-oxaspiro[4.5]decan-8-amine
CID 165487039
1-(3,5-dimethyloxolan-3-yl)-N-methylmethanamine
CID 91547926
2,4,5,5-tetramethylmorpholine
CID 130737621
2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]
CID 22914150
2,4,4,5-tetramethyloxane
CID 142990175

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane?
The IUPAC name of 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane (CID 24971562) is 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane?
The canonical SMILES for 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane is CC1CC2(CO1)COC(C)(C)C2.
What is the InChIKey of 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane?
The InChIKey is KIQOVRNIAYZBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-4-10(6-11-8)5-9(2,3)12-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane?
3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 24971562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).