1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane

C19H40O6P2 — CID 15067933

IUPAC1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane
SMILESCC(C)OP(=O)(OC(C)C)C1(P(=O)(OC(C)C)OC(C)C)CCCCCC1
InChIInChI=1S/C19H40O6P2/c1-15(2)22-26(20,23-16(3)4)19(13-11-9-10-12-14-19)27(21,24-17(5)6)25-18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyDVJAEZPOWXHFOL-UHFFFAOYSA-N
MW426.47 g/mol
LogP7.12
Rot. Bonds10

About 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane

1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane (PubChem CID 15067933) has the molecular formula C19H40O6P2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane.

Molecular Properties

Compound Name1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane
PubChem CID15067933
Molecular FormulaC19H40O6P2
Molecular Weight426.47 g/mol
Exact Mass426.23
IUPAC Name1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane
SMILESCC(C)OP(=O)(OC(C)C)C1(P(=O)(OC(C)C)OC(C)C)CCCCCC1
InChIInChI=1S/C19H40O6P2/c1-15(2)22-26(20,23-16(3)4)19(13-11-9-10-12-14-19)27(21,24-17(5)6)25-18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyDVJAEZPOWXHFOL-UHFFFAOYSA-N
XLogP7.12
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-di(propan-2-yloxy)phosphorylcyclohexyl]-trimethylsilane
CID 11823380
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
N-[1-di(propan-2-yloxy)phosphorylcyclohexyl]-4-methylaniline
CID 46500543
copper bis(dipropan-2-yl phosphate)
CID 159825108
cis-methyl (1S,2R)-2-chloro-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropane-1-carboxylate
CID 11823126
1-methoxy-1-propan-2-yloxycyclohexane
CID 89137021
(1-hydroxycyclooctyl) acetate
CID 91039609
2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
CID 176614549
N-(1-propan-2-yloxycyclohexyl)methanimine oxide
CID 163447989
6-di(propan-2-yloxy)phosphoryl-3,4-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 11198545
CID 175885039
CID 175885039
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane?
The IUPAC name of 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane (CID 15067933) is 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane.
What is the SMILES notation for 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane?
The canonical SMILES for 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane is CC(C)OP(=O)(OC(C)C)C1(P(=O)(OC(C)C)OC(C)C)CCCCCC1.
What is the InChIKey of 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane?
The InChIKey is DVJAEZPOWXHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6P2/c1-15(2)22-26(20,23-16(3)4)19(13-11-9-10-12-14-19)27(21,24-17(5)6)25-18(7)8/h15-18H,9-14H2,1-8H3.
What are the key properties of 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane?
1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane has a molecular weight of 426.47 g/mol, XLogP of 7.12, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[di(propan-2-yloxy)phosphoryl]cycloheptane is sourced from PubChem (CID 15067933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).