(2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol

C8H10O3 — CID 141007306

IUPAC(2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
SMILESCC1OC2=C(O1)C(CO)C=C2
InChIInChI=1S/C8H10O3/c1-5-10-7-3-2-6(4-9)8(7)11-5/h2-3,5-6,9H,4H2,1H3
InChIKeyTYRPDVMODAGKOF-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.77
Rot. Bonds1

About (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol

(2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol (PubChem CID 141007306) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
PubChem CID141007306
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
SMILESCC1OC2=C(O1)C(CO)C=C2
InChIInChI=1S/C8H10O3/c1-5-10-7-3-2-6(4-9)8(7)11-5/h2-3,5-6,9H,4H2,1H3
InChIKeyTYRPDVMODAGKOF-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-cyclopenta[d][1,3]dioxol-4-ylmethanol
CID 17872569
(2,2-dimethyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
CID 53833874
2H-cyclopenta[b]furan-2-ol;methane
CID 70558933
3-(methoxymethyl)-2H-cyclopenta[b]furan-2-ol
CID 70559777
2-methyl-1-[2-(2H-pyran-6-yl)ethoxy]propan-1-ol
CID 132235729
(2-ethyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol
CID 140389763
2-(4H-cyclopenta[d][1,3]dioxol-4-yl)propan-2-ol
CID 141007282
2-(4H-cyclopenta[d][1,3]dioxol-4-yl)ethanol
CID 141007285
2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007357
1-Propan-2-yloxy-1,6-dihydrofuro[3,4-b][1]benzofuran-3-ol
CID 176139045

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol?
The IUPAC name of (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol (CID 141007306) is (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol.
What is the SMILES notation for (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol?
The canonical SMILES for (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol is CC1OC2=C(O1)C(CO)C=C2.
What is the InChIKey of (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol?
The InChIKey is TYRPDVMODAGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-10-7-3-2-6(4-9)8(7)11-5/h2-3,5-6,9H,4H2,1H3.
What are the key properties of (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol?
(2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol has a molecular weight of 154.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol is sourced from PubChem (CID 141007306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).