2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol

C14H26O3 — CID 79899451

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26O3/c1-11(2)13(3,15)12-4-7-17-14(10-12)5-8-16-9-6-14/h11-12,15H,4-10H2,1-3H3
InChIKeyGOAQVODTLQOIMO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.37
Rot. Bonds2

About 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol (PubChem CID 79899451) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
PubChem CID79899451
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26O3/c1-11(2)13(3,15)12-4-7-17-14(10-12)5-8-16-9-6-14/h11-12,15H,4-10H2,1-3H3
InChIKeyGOAQVODTLQOIMO-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol (CID 79899451) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol is CC(C)C(C)(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol?
The InChIKey is GOAQVODTLQOIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(2)13(3,15)12-4-7-17-14(10-12)5-8-16-9-6-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 79899451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).