1-dibutoxyphosphorylcyclohexan-1-ol

C14H29O4P — CID 6453953

IUPAC1-dibutoxyphosphorylcyclohexan-1-ol
SMILESCCCCOP(=O)(OCCCC)C1(O)CCCCC1
InChIInChI=1S/C14H29O4P/c1-3-5-12-17-19(16,18-13-6-4-2)14(15)10-8-7-9-11-14/h15H,3-13H2,1-2H3
InChIKeyFAJOHOSTGGEHAH-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.47
Rot. Bonds9

About 1-dibutoxyphosphorylcyclohexan-1-ol

1-dibutoxyphosphorylcyclohexan-1-ol (PubChem CID 6453953) has the molecular formula C14H29O4P and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-dibutoxyphosphorylcyclohexan-1-ol.

Molecular Properties

Compound Name1-dibutoxyphosphorylcyclohexan-1-ol
PubChem CID6453953
Molecular FormulaC14H29O4P
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name1-dibutoxyphosphorylcyclohexan-1-ol
SMILESCCCCOP(=O)(OCCCC)C1(O)CCCCC1
InChIInChI=1S/C14H29O4P/c1-3-5-12-17-19(16,18-13-6-4-2)14(15)10-8-7-9-11-14/h15H,3-13H2,1-2H3
InChIKeyFAJOHOSTGGEHAH-UHFFFAOYSA-N
XLogP4.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dibutoxyphosphorylcyclohexan-1-ol?
The IUPAC name of 1-dibutoxyphosphorylcyclohexan-1-ol (CID 6453953) is 1-dibutoxyphosphorylcyclohexan-1-ol.
What is the SMILES notation for 1-dibutoxyphosphorylcyclohexan-1-ol?
The canonical SMILES for 1-dibutoxyphosphorylcyclohexan-1-ol is CCCCOP(=O)(OCCCC)C1(O)CCCCC1.
What is the InChIKey of 1-dibutoxyphosphorylcyclohexan-1-ol?
The InChIKey is FAJOHOSTGGEHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O4P/c1-3-5-12-17-19(16,18-13-6-4-2)14(15)10-8-7-9-11-14/h15H,3-13H2,1-2H3.
What are the key properties of 1-dibutoxyphosphorylcyclohexan-1-ol?
1-dibutoxyphosphorylcyclohexan-1-ol has a molecular weight of 292.36 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutoxyphosphorylcyclohexan-1-ol is sourced from PubChem (CID 6453953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).