cyclohexa-1,5-dien-1-yloxymethanol

C7H10O2 — CID 89483942

IUPACcyclohexa-1,5-dien-1-yloxymethanol
SMILESOCOC1=CCCC=C1
InChIInChI=1S/C7H10O2/c8-6-9-7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2
InChIKeyWMPNHTSTZTXZLB-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.19
Rot. Bonds2

About cyclohexa-1,5-dien-1-yloxymethanol

cyclohexa-1,5-dien-1-yloxymethanol (PubChem CID 89483942) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yloxymethanol.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yloxymethanol
PubChem CID89483942
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namecyclohexa-1,5-dien-1-yloxymethanol
SMILESOCOC1=CCCC=C1
InChIInChI=1S/C7H10O2/c8-6-9-7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2
InChIKeyWMPNHTSTZTXZLB-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yloxymethanol?
The IUPAC name of cyclohexa-1,5-dien-1-yloxymethanol (CID 89483942) is cyclohexa-1,5-dien-1-yloxymethanol.
What is the SMILES notation for cyclohexa-1,5-dien-1-yloxymethanol?
The canonical SMILES for cyclohexa-1,5-dien-1-yloxymethanol is OCOC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-yloxymethanol?
The InChIKey is WMPNHTSTZTXZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-9-7-4-2-1-3-5-7/h2,4-5,8H,1,3,6H2.
What are the key properties of cyclohexa-1,5-dien-1-yloxymethanol?
cyclohexa-1,5-dien-1-yloxymethanol has a molecular weight of 126.15 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yloxymethanol is sourced from PubChem (CID 89483942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).