4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide

C14H25O4P — CID 58900627

IUPAC4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(O)OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C14H25O4P/c15-19(16)17-13(11-7-3-1-4-8-11)14(18-19)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,15,16)
InChIKeyFFQDUHDEXBKFSN-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.03
Rot. Bonds2

About 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide

4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 58900627) has the molecular formula C14H25O4P and a molecular weight of 288.32 g/mol. Its IUPAC name is 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID58900627
Molecular FormulaC14H25O4P
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(O)OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C14H25O4P/c15-19(16)17-13(11-7-3-1-4-8-11)14(18-19)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,15,16)
InChIKeyFFQDUHDEXBKFSN-UHFFFAOYSA-N
XLogP4.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
cyclohexylcyclohexane;dihydroxysilane
CID 173062511
(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide
CID 139057468
3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol
CID 158327815
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
(1R,6R,8R,10S,15S)-17-cyclooctyl-8-cyclooctyloxy-3,12-dihydroxy-3-sulfanylidene-2,4,11,13,16-pentaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecane 12-oxide
CID 174243595
2-cyclohexyl-3-ethenyloxirane
CID 12669133
(3-cyclohexyloxiran-2-yl)-methylsilane
CID 175312810
2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
CID 159109458
tert-butyl (2S,3R)-3-cyclohexyloxirane-2-carboxylate
CID 91007884

Frequently Asked Questions

What is the IUPAC name of 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide (CID 58900627) is 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide is O=P1(O)OC(C2CCCCC2)C(C2CCCCC2)O1.
What is the InChIKey of 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is FFQDUHDEXBKFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O4P/c15-19(16)17-13(11-7-3-1-4-8-11)14(18-19)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,15,16).
What are the key properties of 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 288.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 58900627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).