2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol

C17H32O2 — CID 114865476

IUPAC2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H32O2/c1-13(2)10-17(18,11-14(3)4)15-6-9-19-16(12-15)7-5-8-16/h13-15,18H,5-12H2,1-4H3
InChIKeyRYOGOXRWPNJJGZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.16
Rot. Bonds5

About 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol

2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol (PubChem CID 114865476) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
PubChem CID114865476
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H32O2/c1-13(2)10-17(18,11-14(3)4)15-6-9-19-16(12-15)7-5-8-16/h13-15,18H,5-12H2,1-4H3
InChIKeyRYOGOXRWPNJJGZ-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
CID 114865417
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923273
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol?
The IUPAC name of 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol (CID 114865476) is 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol is CC(C)CC(O)(CC(C)C)C1CCOC2(CCC2)C1.
What is the InChIKey of 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol?
The InChIKey is RYOGOXRWPNJJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-13(2)10-17(18,11-14(3)4)15-6-9-19-16(12-15)7-5-8-16/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol?
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol has a molecular weight of 268.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol is sourced from PubChem (CID 114865476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).