1-cyclohexylbut-2-en-1-ol;phosphoric acid

C10H21O5P — CID 174662569

IUPAC1-cyclohexylbut-2-en-1-ol;phosphoric acid
SMILESCC=CC(O)C1CCCCC1.O=P(O)(O)O
InChIInChI=1S/C10H18O.H3O4P/c1-2-6-10(11)9-7-4-3-5-8-9;1-5(2,3)4/h2,6,9-11H,3-5,7-8H2,1H3;(H3,1,2,3,4)
InChIKeyZIFCDGOQVDRTLL-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.58
Rot. Bonds2

About 1-cyclohexylbut-2-en-1-ol;phosphoric acid

1-cyclohexylbut-2-en-1-ol;phosphoric acid (PubChem CID 174662569) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is 1-cyclohexylbut-2-en-1-ol;phosphoric acid.

Molecular Properties

Compound Name1-cyclohexylbut-2-en-1-ol;phosphoric acid
PubChem CID174662569
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name1-cyclohexylbut-2-en-1-ol;phosphoric acid
SMILESCC=CC(O)C1CCCCC1.O=P(O)(O)O
InChIInChI=1S/C10H18O.H3O4P/c1-2-6-10(11)9-7-4-3-5-8-9;1-5(2,3)4/h2,6,9-11H,3-5,7-8H2,1H3;(H3,1,2,3,4)
InChIKeyZIFCDGOQVDRTLL-UHFFFAOYSA-N
XLogP1.58
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylbut-2-en-1-ol;phosphoric acid?
The IUPAC name of 1-cyclohexylbut-2-en-1-ol;phosphoric acid (CID 174662569) is 1-cyclohexylbut-2-en-1-ol;phosphoric acid.
What is the SMILES notation for 1-cyclohexylbut-2-en-1-ol;phosphoric acid?
The canonical SMILES for 1-cyclohexylbut-2-en-1-ol;phosphoric acid is CC=CC(O)C1CCCCC1.O=P(O)(O)O.
What is the InChIKey of 1-cyclohexylbut-2-en-1-ol;phosphoric acid?
The InChIKey is ZIFCDGOQVDRTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.H3O4P/c1-2-6-10(11)9-7-4-3-5-8-9;1-5(2,3)4/h2,6,9-11H,3-5,7-8H2,1H3;(H3,1,2,3,4).
What are the key properties of 1-cyclohexylbut-2-en-1-ol;phosphoric acid?
1-cyclohexylbut-2-en-1-ol;phosphoric acid has a molecular weight of 252.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbut-2-en-1-ol;phosphoric acid is sourced from PubChem (CID 174662569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).