2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane

C9H17OP — CID 88702463

IUPAC2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane
SMILESCCCCCP1CCC2OC21
InChIInChI=1S/C9H17OP/c1-2-3-4-6-11-7-5-8-9(11)10-8/h8-9H,2-7H2,1H3
InChIKeyLVLKNDUOCABIHC-UHFFFAOYSA-N
MW172.21 g/mol
LogP2.79
Rot. Bonds4

About 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane

2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane (PubChem CID 88702463) has the molecular formula C9H17OP and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane
PubChem CID88702463
Molecular FormulaC9H17OP
Molecular Weight172.21 g/mol
Exact Mass172.10
IUPAC Name2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane
SMILESCCCCCP1CCC2OC21
InChIInChI=1S/C9H17OP/c1-2-3-4-6-11-7-5-8-9(11)10-8/h8-9H,2-7H2,1H3
InChIKeyLVLKNDUOCABIHC-UHFFFAOYSA-N
XLogP2.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-octyl-1,4-oxaphosphinane
CID 23280174
2,5-diethyl-1-pentylphospholane
CID 140639652
1-octylphospholane
CID 66657464
1-butyl-2-cyclononylphosphonane
CID 66657378
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
1,4-dioxane;tetradecane
CID 159034856
1,2-dimethylcyclobutane;pentane
CID 142846915
heptane;hexane;octane;pentane
CID 159214735
tetrakis(nonane);bis(pentane)
CID 158390230
octane;pentane
CID 19101448
hexane;pentane;propane
CID 165146348
sodium;hydride;1-octylphosphinane
CID 173416325

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane?
The IUPAC name of 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane (CID 88702463) is 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane?
The canonical SMILES for 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane is CCCCCP1CCC2OC21.
What is the InChIKey of 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane?
The InChIKey is LVLKNDUOCABIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17OP/c1-2-3-4-6-11-7-5-8-9(11)10-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane?
2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane has a molecular weight of 172.21 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane is sourced from PubChem (CID 88702463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).