1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol

C10H16O3 — CID 86109145

IUPAC1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol
SMILESOCC1=COC2(CCCCO2)CC1
InChIInChI=1S/C10H16O3/c11-7-9-3-5-10(13-8-9)4-1-2-6-12-10/h8,11H,1-7H2
InChIKeyLHYGQUALGJCXHL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds1

About 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol

1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol (PubChem CID 86109145) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol.

Molecular Properties

Compound Name1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol
PubChem CID86109145
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol
SMILESOCC1=COC2(CCCCO2)CC1
InChIInChI=1S/C10H16O3/c11-7-9-3-5-10(13-8-9)4-1-2-6-12-10/h8,11H,1-7H2
InChIKeyLHYGQUALGJCXHL-UHFFFAOYSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol?
The IUPAC name of 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol (CID 86109145) is 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol.
What is the SMILES notation for 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol?
The canonical SMILES for 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol is OCC1=COC2(CCCCO2)CC1.
What is the InChIKey of 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol?
The InChIKey is LHYGQUALGJCXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-7-9-3-5-10(13-8-9)4-1-2-6-12-10/h8,11H,1-7H2.
What are the key properties of 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol?
1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol has a molecular weight of 184.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxaspiro[5.5]undec-2-en-3-ylmethanol is sourced from PubChem (CID 86109145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).