spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol

C9H12O3 — CID 163665577

IUPACspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol
SMILESOC1=CC2CC1CC21OCCO1
InChIInChI=1S/C9H12O3/c10-8-4-7-3-6(8)5-9(7)11-1-2-12-9/h4,6-7,10H,1-3,5H2
InChIKeyIYDMDUFBTQHXPH-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.21
Rot. Bonds

About spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol

spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol (PubChem CID 163665577) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol
PubChem CID163665577
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namespiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol
SMILESOC1=CC2CC1CC21OCCO1
InChIInChI=1S/C9H12O3/c10-8-4-7-3-6(8)5-9(7)11-1-2-12-9/h4,6-7,10H,1-3,5H2
InChIKeyIYDMDUFBTQHXPH-UHFFFAOYSA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]hept-2-ene]-2'-carboxylic acid
CID 14381790
(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol
CID 11593551
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]
CID 117070185
1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol
CID 135039279
(1'S,3'E,4'R)-3'-(dimethylaminomethylidene)spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]heptane]-2'-one
CID 177426404
(1'S,4'R)-spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]heptane]-2'-one
CID 131162623
(6R,8R)-6-phenylsulfanyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 101098846
2-propyl-4,7-dioxaspiro[2.4]heptane
CID 134922933
(1'S,2'R,4'S,6'S)-3',3'-dibromospiro[1,3-dioxolane-2,7'-tricyclo[4.2.0.02,4]octane]
CID 135037744
(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 51669756
(1'S,4'S)-spiro[1,3-dioxole-2,5'-bicyclo[2.2.1]heptane]-2'-one
CID 170558722

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol?
The IUPAC name of spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol (CID 163665577) is spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol.
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol is OC1=CC2CC1CC21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol?
The InChIKey is IYDMDUFBTQHXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-8-4-7-3-6(8)5-9(7)11-1-2-12-9/h4,6-7,10H,1-3,5H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol?
spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol has a molecular weight of 168.19 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol is sourced from PubChem (CID 163665577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).