(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol

C11H14O3 — CID 155589326

IUPAC(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(C2=CCC=CC=C2)O1
InChIInChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)9-5-3-1-2-4-6-9/h1-3,5-6,10-12H,4,7-8H2
InChIKeyYVPICWUVWAZBNB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds2

About (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol

(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol (PubChem CID 155589326) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol
PubChem CID155589326
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol
SMILESOCC1COC(C2=CCC=CC=C2)O1
InChIInChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)9-5-3-1-2-4-6-9/h1-3,5-6,10-12H,4,7-8H2
InChIKeyYVPICWUVWAZBNB-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
CID 82112171
[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094617
[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
CID 163756517
bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
molecular iodine;oxiran-2-ylmethanol
CID 159687317
oxiran-2-ylmethanol;propane
CID 91466926
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395

Frequently Asked Questions

What is the IUPAC name of (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol (CID 155589326) is (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol is OCC1COC(C2=CCC=CC=C2)O1.
What is the InChIKey of (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol?
The InChIKey is YVPICWUVWAZBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)9-5-3-1-2-4-6-9/h1-3,5-6,10-12H,4,7-8H2.
What are the key properties of (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol?
(2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol has a molecular weight of 194.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohepta-1,4,6-trien-1-yl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 155589326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).