cyclohexa-1,5-dien-1-ylmethanol

C7H10O — CID 13444225

IUPACcyclohexa-1,5-dien-1-ylmethanol
SMILESOCC1=CCCC=C1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2
InChIKeyZHMUNCHFPFKUHY-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.26
Rot. Bonds1

About cyclohexa-1,5-dien-1-ylmethanol

cyclohexa-1,5-dien-1-ylmethanol (PubChem CID 13444225) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethanol.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethanol
PubChem CID13444225
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namecyclohexa-1,5-dien-1-ylmethanol
SMILESOCC1=CCCC=C1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2
InChIKeyZHMUNCHFPFKUHY-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethanol?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethanol (CID 13444225) is cyclohexa-1,5-dien-1-ylmethanol.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethanol?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethanol is OCC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethanol?
The InChIKey is ZHMUNCHFPFKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2.
What are the key properties of cyclohexa-1,5-dien-1-ylmethanol?
cyclohexa-1,5-dien-1-ylmethanol has a molecular weight of 110.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethanol is sourced from PubChem (CID 13444225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).