1,9-dioxaspiro[5.5]undecan-4-ylmethanol

C10H18O3 — CID 79913492

IUPAC1,9-dioxaspiro[5.5]undecan-4-ylmethanol
SMILESOCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H18O3/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h9,11H,1-8H2
InChIKeyFMIITHDTPFFAGS-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds1

About 1,9-dioxaspiro[5.5]undecan-4-ylmethanol

1,9-dioxaspiro[5.5]undecan-4-ylmethanol (PubChem CID 79913492) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-ylmethanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-ylmethanol
PubChem CID79913492
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-ylmethanol
SMILESOCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H18O3/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h9,11H,1-8H2
InChIKeyFMIITHDTPFFAGS-UHFFFAOYSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-ylmethanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-ylmethanol (CID 79913492) is 1,9-dioxaspiro[5.5]undecan-4-ylmethanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-ylmethanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-ylmethanol is OCC1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-ylmethanol?
The InChIKey is FMIITHDTPFFAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h9,11H,1-8H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-ylmethanol?
1,9-dioxaspiro[5.5]undecan-4-ylmethanol has a molecular weight of 186.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-ylmethanol is sourced from PubChem (CID 79913492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).