cyclopenta-1,3-dien-1-ylmethanol

C6H8O — CID 2777812

IUPACcyclopenta-1,3-dien-1-ylmethanol
SMILESOCC1=CC=CC1
InChIInChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-3,7H,4-5H2
InChIKeyVVBKONZXRFCSIV-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.87
Rot. Bonds1

About cyclopenta-1,3-dien-1-ylmethanol

cyclopenta-1,3-dien-1-ylmethanol (PubChem CID 2777812) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylmethanol.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylmethanol
PubChem CID2777812
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namecyclopenta-1,3-dien-1-ylmethanol
SMILESOCC1=CC=CC1
InChIInChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-3,7H,4-5H2
InChIKeyVVBKONZXRFCSIV-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-ylmethanol?
The IUPAC name of cyclopenta-1,3-dien-1-ylmethanol (CID 2777812) is cyclopenta-1,3-dien-1-ylmethanol.
What is the SMILES notation for cyclopenta-1,3-dien-1-ylmethanol?
The canonical SMILES for cyclopenta-1,3-dien-1-ylmethanol is OCC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-ylmethanol?
The InChIKey is VVBKONZXRFCSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-3,7H,4-5H2.
What are the key properties of cyclopenta-1,3-dien-1-ylmethanol?
cyclopenta-1,3-dien-1-ylmethanol has a molecular weight of 96.13 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylmethanol is sourced from PubChem (CID 2777812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).