(7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol

C9H16O2 — CID 130642339

IUPAC(7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol
SMILESCC1(C)COCC12CC2CO
InChIInChI=1S/C9H16O2/c1-8(2)5-11-6-9(8)3-7(9)4-10/h7,10H,3-6H2,1-2H3
InChIKeyDSGBNUHBGINICV-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.04
Rot. Bonds1

About (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol

(7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol (PubChem CID 130642339) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol.

Molecular Properties

Compound Name(7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol
PubChem CID130642339
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol
SMILESCC1(C)COCC12CC2CO
InChIInChI=1S/C9H16O2/c1-8(2)5-11-6-9(8)3-7(9)4-10/h7,10H,3-6H2,1-2H3
InChIKeyDSGBNUHBGINICV-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5-methyl-5-azaspiro[2.3]hexan-2-yl)methanol
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CID 131186007
[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
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[(1S)-2,2-dimethylcyclobutyl]methanol
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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol?
The IUPAC name of (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol (CID 130642339) is (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol.
What is the SMILES notation for (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol?
The canonical SMILES for (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol is CC1(C)COCC12CC2CO.
What is the InChIKey of (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol?
The InChIKey is DSGBNUHBGINICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)5-11-6-9(8)3-7(9)4-10/h7,10H,3-6H2,1-2H3.
What are the key properties of (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol?
(7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-5-oxaspiro[2.4]heptan-2-yl)methanol is sourced from PubChem (CID 130642339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).