[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol

C7H10O2 — CID 12921770

IUPAC[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol
SMILESOCC1=C(CO)CC=C1
InChIInChI=1S/C7H10O2/c8-4-6-2-1-3-7(6)5-9/h1-2,8-9H,3-5H2
InChIKeyBWHVTEIJBGCXBY-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.23
Rot. Bonds2

About [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol

[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol (PubChem CID 12921770) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol
PubChem CID12921770
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol
SMILESOCC1=C(CO)CC=C1
InChIInChI=1S/C7H10O2/c8-4-6-2-1-3-7(6)5-9/h1-2,8-9H,3-5H2
InChIKeyBWHVTEIJBGCXBY-UHFFFAOYSA-N
XLogP0.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol (CID 12921770) is [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol is OCC1=C(CO)CC=C1.
What is the InChIKey of [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
The InChIKey is BWHVTEIJBGCXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-4-6-2-1-3-7(6)5-9/h1-2,8-9H,3-5H2.
What are the key properties of [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol has a molecular weight of 126.15 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol is sourced from PubChem (CID 12921770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).