cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid

C14H28NO2P — CID 123478712

IUPACcyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)OC1CCC=CCCC1
InChIInChI=1S/C14H28NO2P/c1-12(2)15(13(3)4)18(16)17-14-10-8-6-5-7-9-11-14/h5-6,12-14,16H,7-11H2,1-4H3
InChIKeyMIDZSVNSBCBCTG-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.23
Rot. Bonds5

About cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid

cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 123478712) has the molecular formula C14H28NO2P and a molecular weight of 273.36 g/mol. Its IUPAC name is cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Namecyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID123478712
Molecular FormulaC14H28NO2P
Molecular Weight273.36 g/mol
Exact Mass273.19
IUPAC Namecyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)OC1CCC=CCCC1
InChIInChI=1S/C14H28NO2P/c1-12(2)15(13(3)4)18(16)17-14-10-8-6-5-7-9-11-14/h5-6,12-14,16H,7-11H2,1-4H3
InChIKeyMIDZSVNSBCBCTG-UHFFFAOYSA-N
XLogP4.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,5R)-5-propan-2-yloxycyclooctene
CID 177100043
[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate
CID 90049693
[(4Z)-cyclooct-4-en-1-yl]oxy-trimethylsilane
CID 18541566
9-propan-2-ylcyclododeca-1,5-diene
CID 54254739
5-propoxycyclooctene
CID 77387390
4-propan-2-yloxycyclohexene
CID 20567917
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
CID 160957196
(4Z)-cyclooct-4-en-1-ol
CID 5381510
N-ethyl-N-propan-2-ylcyclohex-2-en-1-amine
CID 130679433
2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol
CID 124855432
4-(3-methylbutan-2-yloxy)cyclohexene
CID 89432419
5-(2-(19F)fluoroethoxy)cyclooctene
CID 123636497

Frequently Asked Questions

What is the IUPAC name of cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 123478712) is cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid is CC(C)N(C(C)C)P(O)OC1CCC=CCCC1.
What is the InChIKey of cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is MIDZSVNSBCBCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO2P/c1-12(2)15(13(3)4)18(16)17-14-10-8-6-5-7-9-11-14/h5-6,12-14,16H,7-11H2,1-4H3.
What are the key properties of cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid?
cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 273.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-4-en-1-yloxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 123478712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).