1-methylcyclopent-2-ene-1,2-diol

C6H10O2 — CID 70255213

IUPAC1-methylcyclopent-2-ene-1,2-diol
SMILESCC1(O)CCC=C1O
InChIInChI=1S/C6H10O2/c1-6(8)4-2-3-5(6)7/h3,7-8H,2,4H2,1H3
InChIKeyXPWIZMIBBTZWPN-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.97
Rot. Bonds

About 1-methylcyclopent-2-ene-1,2-diol

1-methylcyclopent-2-ene-1,2-diol (PubChem CID 70255213) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-methylcyclopent-2-ene-1,2-diol.

Molecular Properties

Compound Name1-methylcyclopent-2-ene-1,2-diol
PubChem CID70255213
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-methylcyclopent-2-ene-1,2-diol
SMILESCC1(O)CCC=C1O
InChIInChI=1S/C6H10O2/c1-6(8)4-2-3-5(6)7/h3,7-8H,2,4H2,1H3
InChIKeyXPWIZMIBBTZWPN-UHFFFAOYSA-N
XLogP0.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopent-2-ene-1,2-diol?
The IUPAC name of 1-methylcyclopent-2-ene-1,2-diol (CID 70255213) is 1-methylcyclopent-2-ene-1,2-diol.
What is the SMILES notation for 1-methylcyclopent-2-ene-1,2-diol?
The canonical SMILES for 1-methylcyclopent-2-ene-1,2-diol is CC1(O)CCC=C1O.
What is the InChIKey of 1-methylcyclopent-2-ene-1,2-diol?
The InChIKey is XPWIZMIBBTZWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(8)4-2-3-5(6)7/h3,7-8H,2,4H2,1H3.
What are the key properties of 1-methylcyclopent-2-ene-1,2-diol?
1-methylcyclopent-2-ene-1,2-diol has a molecular weight of 114.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopent-2-ene-1,2-diol is sourced from PubChem (CID 70255213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).