cyclohex-2-en-1-ylmethanol;phosphoric acid

C7H15O5P — CID 174366936

IUPACcyclohex-2-en-1-ylmethanol;phosphoric acid
SMILESO=P(O)(O)O.OCC1C=CCCC1
InChIInChI=1S/C7H12O.H3O4P/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2,4,7-8H,1,3,5-6H2;(H3,1,2,3,4)
InChIKeyBWRQLNXCYLYNNT-UHFFFAOYSA-N
MW210.17 g/mol
LogP0.41
Rot. Bonds1

About cyclohex-2-en-1-ylmethanol;phosphoric acid

cyclohex-2-en-1-ylmethanol;phosphoric acid (PubChem CID 174366936) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is cyclohex-2-en-1-ylmethanol;phosphoric acid.

Molecular Properties

Compound Namecyclohex-2-en-1-ylmethanol;phosphoric acid
PubChem CID174366936
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Namecyclohex-2-en-1-ylmethanol;phosphoric acid
SMILESO=P(O)(O)O.OCC1C=CCCC1
InChIInChI=1S/C7H12O.H3O4P/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2,4,7-8H,1,3,5-6H2;(H3,1,2,3,4)
InChIKeyBWRQLNXCYLYNNT-UHFFFAOYSA-N
XLogP0.41
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;cyclopent-2-en-1-ylmethanol
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(NE)-N-(2-cyclohex-2-en-1-ylethylidene)hydroxylamine
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1-[(1R)-cyclohept-2-en-1-yl]propan-2-one
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S-(cyclohex-2-en-1-ylmethyl) 2-aminoethanethioate
CID 123527787
bis(cyclohept-2-en-1-ylmethyl) carbonate
CID 175027779
formaldehyde;3-(4-methylpent-3-enyl)cyclohexene
CID 175285342
bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate
CID 163744531
2-cyclohex-2-en-1-ylethyl-[2-cyclohex-2-en-1-ylethyl(dimethyl)silyl]oxy-dimethylsilane
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2-cyclohex-2-en-1-yl-N-iodoethanamine
CID 89307928

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylmethanol;phosphoric acid?
The IUPAC name of cyclohex-2-en-1-ylmethanol;phosphoric acid (CID 174366936) is cyclohex-2-en-1-ylmethanol;phosphoric acid.
What is the SMILES notation for cyclohex-2-en-1-ylmethanol;phosphoric acid?
The canonical SMILES for cyclohex-2-en-1-ylmethanol;phosphoric acid is O=P(O)(O)O.OCC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylmethanol;phosphoric acid?
The InChIKey is BWRQLNXCYLYNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.H3O4P/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2,4,7-8H,1,3,5-6H2;(H3,1,2,3,4).
What are the key properties of cyclohex-2-en-1-ylmethanol;phosphoric acid?
cyclohex-2-en-1-ylmethanol;phosphoric acid has a molecular weight of 210.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylmethanol;phosphoric acid is sourced from PubChem (CID 174366936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).