[(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane

C10H18O2P2 — CID 130410988

IUPAC[(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane
SMILESCCC(C)[C@]1(OP)C=CC=C[C@H]1OP
InChIInChI=1S/C10H18O2P2/c1-3-8(2)10(12-14)7-5-4-6-9(10)11-13/h4-9H,3,13-14H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyIDXSWYMYWOEJMF-VXRWAFEHSA-N
MW232.20 g/mol
LogP2.88
Rot. Bonds4

About [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane

[(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane (PubChem CID 130410988) has the molecular formula C10H18O2P2 and a molecular weight of 232.20 g/mol. Its IUPAC name is [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane.

Molecular Properties

Compound Name[(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane
PubChem CID130410988
Molecular FormulaC10H18O2P2
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name[(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane
SMILESCCC(C)[C@]1(OP)C=CC=C[C@H]1OP
InChIInChI=1S/C10H18O2P2/c1-3-8(2)10(12-14)7-5-4-6-9(10)11-13/h4-9H,3,13-14H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyIDXSWYMYWOEJMF-VXRWAFEHSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane?
The IUPAC name of [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane (CID 130410988) is [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane.
What is the SMILES notation for [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane?
The canonical SMILES for [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane is CCC(C)[C@]1(OP)C=CC=C[C@H]1OP.
What is the InChIKey of [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane?
The InChIKey is IDXSWYMYWOEJMF-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H18O2P2/c1-3-8(2)10(12-14)7-5-4-6-9(10)11-13/h4-9H,3,13-14H2,1-2H3/t8?,9-,10-/m1/s1.
What are the key properties of [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane?
[(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane has a molecular weight of 232.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-1-butan-2-yl-6-phosphanyloxycyclohexa-2,4-dien-1-yl]oxyphosphane is sourced from PubChem (CID 130410988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).