2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol

C16H28O3 — CID 79912832

IUPAC2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESCC1(C)CC(O)(C2CCOC3(CCCC3)C2)CCO1
InChIInChI=1S/C16H28O3/c1-14(2)12-16(17,8-10-18-14)13-5-9-19-15(11-13)6-3-4-7-15/h13,17H,3-12H2,1-2H3
InChIKeyBROZOKDMIHHSDK-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.05
Rot. Bonds1

About 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol

2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol (PubChem CID 79912832) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
PubChem CID79912832
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESCC1(C)CC(O)(C2CCOC3(CCCC3)C2)CCO1
InChIInChI=1S/C16H28O3/c1-14(2)12-16(17,8-10-18-14)13-5-9-19-15(11-13)6-3-4-7-15/h13,17H,3-12H2,1-2H3
InChIKeyBROZOKDMIHHSDK-UHFFFAOYSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
CID 79947103
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol
CID 64748775
2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol
CID 79912831
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913175
1-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-ol
CID 79899741
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol (CID 79912832) is 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol is CC1(C)CC(O)(C2CCOC3(CCCC3)C2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol?
The InChIKey is BROZOKDMIHHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-14(2)12-16(17,8-10-18-14)13-5-9-19-15(11-13)6-3-4-7-15/h13,17H,3-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol?
2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol has a molecular weight of 268.40 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol is sourced from PubChem (CID 79912832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).