[butoxy(butyl)phosphoryl]oxycyclohexane

C14H29O3P — CID 87506579

IUPAC[butoxy(butyl)phosphoryl]oxycyclohexane
SMILESCCCCOP(=O)(CCCC)OC1CCCCC1
InChIInChI=1S/C14H29O3P/c1-3-5-12-16-18(15,13-6-4-2)17-14-10-8-7-9-11-14/h14H,3-13H2,1-2H3
InChIKeyDQNYQHNNFQWNTC-UHFFFAOYSA-N
MW276.36 g/mol
LogP5.15
Rot. Bonds9

About [butoxy(butyl)phosphoryl]oxycyclohexane

[butoxy(butyl)phosphoryl]oxycyclohexane (PubChem CID 87506579) has the molecular formula C14H29O3P and a molecular weight of 276.36 g/mol. Its IUPAC name is [butoxy(butyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[butoxy(butyl)phosphoryl]oxycyclohexane
PubChem CID87506579
Molecular FormulaC14H29O3P
Molecular Weight276.36 g/mol
Exact Mass276.19
IUPAC Name[butoxy(butyl)phosphoryl]oxycyclohexane
SMILESCCCCOP(=O)(CCCC)OC1CCCCC1
InChIInChI=1S/C14H29O3P/c1-3-5-12-16-18(15,13-6-4-2)17-14-10-8-7-9-11-14/h14H,3-13H2,1-2H3
InChIKeyDQNYQHNNFQWNTC-UHFFFAOYSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane
CID 91716669
2-[butyl(pentoxy)phosphoryl]oxyethylcyclohexane
CID 91716564
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
cyclohexyl nonyl hydrogen phosphate
CID 163645473
cyclohexyl decyl phosphate
CID 23362679
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-dibutoxyphosphoryloctacosane
CID 141204672
cyclohexyloxy(dodecyl)phosphinic acid
CID 174792280
4-dicyclohexyloxyphosphorylbutan-1-amine
CID 175191907
1-dioctoxyphosphoryldecane
CID 141369437

Frequently Asked Questions

What is the IUPAC name of [butoxy(butyl)phosphoryl]oxycyclohexane?
The IUPAC name of [butoxy(butyl)phosphoryl]oxycyclohexane (CID 87506579) is [butoxy(butyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [butoxy(butyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [butoxy(butyl)phosphoryl]oxycyclohexane is CCCCOP(=O)(CCCC)OC1CCCCC1.
What is the InChIKey of [butoxy(butyl)phosphoryl]oxycyclohexane?
The InChIKey is DQNYQHNNFQWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O3P/c1-3-5-12-16-18(15,13-6-4-2)17-14-10-8-7-9-11-14/h14H,3-13H2,1-2H3.
What are the key properties of [butoxy(butyl)phosphoryl]oxycyclohexane?
[butoxy(butyl)phosphoryl]oxycyclohexane has a molecular weight of 276.36 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(butyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 87506579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).