4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol

C17H32O3 — CID 114865417

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H32O3/c1-13(2)9-17(18,10-14(3)4)15-5-7-20-16(11-15)6-8-19-12-16/h13-15,18H,5-12H2,1-4H3
InChIKeyWCFIBJOVVHURMD-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.40
Rot. Bonds5

About 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol

4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol (PubChem CID 114865417) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
PubChem CID114865417
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H32O3/c1-13(2)9-17(18,10-14(3)4)15-5-7-20-16(11-15)6-8-19-12-16/h13-15,18H,5-12H2,1-4H3
InChIKeyWCFIBJOVVHURMD-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol with MolForge

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Related Compounds

2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
2-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 79908770
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
CID 79912770
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol (CID 114865417) is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol is CC(C)CC(O)(CC(C)C)C1CCOC2(CCOC2)C1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol?
The InChIKey is WCFIBJOVVHURMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-13(2)9-17(18,10-14(3)4)15-5-7-20-16(11-15)6-8-19-12-16/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol?
4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol has a molecular weight of 284.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).