1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol

C17H32O3 — CID 115820972

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
SMILESCC(CC(O)C1CCOC2(CCOCC2)C1)C(C)(C)C
InChIInChI=1S/C17H32O3/c1-13(16(2,3)4)11-15(18)14-5-8-20-17(12-14)6-9-19-10-7-17/h13-15,18H,5-12H2,1-4H3
InChIKeyHOTLGSCOAYXGDD-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.40
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol (PubChem CID 115820972) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
PubChem CID115820972
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
SMILESCC(CC(O)C1CCOC2(CCOCC2)C1)C(C)(C)C
InChIInChI=1S/C17H32O3/c1-13(16(2,3)4)11-15(18)14-5-8-20-17(12-14)6-9-19-10-7-17/h13-15,18H,5-12H2,1-4H3
InChIKeyHOTLGSCOAYXGDD-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752395
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol (CID 115820972) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol is CC(CC(O)C1CCOC2(CCOCC2)C1)C(C)(C)C.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol?
The InChIKey is HOTLGSCOAYXGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-13(16(2,3)4)11-15(18)14-5-8-20-17(12-14)6-9-19-10-7-17/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 115820972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).