2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane

C14H29O3P — CID 10778844

IUPAC2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane
SMILESCCOP(=O)(OCC)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H29O3P/c1-6-16-18(15,17-7-2)14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyTYBNWQAGQWPWEA-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.71
Rot. Bonds6

About 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane

2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 10778844) has the molecular formula C14H29O3P and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane
PubChem CID10778844
Molecular FormulaC14H29O3P
Molecular Weight276.36 g/mol
Exact Mass276.19
IUPAC Name2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane
SMILESCCOP(=O)(OCC)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H29O3P/c1-6-16-18(15,17-7-2)14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyTYBNWQAGQWPWEA-UHFFFAOYSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2S,4R)-2-diethoxyphosphorylbicyclo[2.2.1]heptane
CID 51013263
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
[methyl-(5-methyl-2-propan-2-ylcyclohexyl)phosphoryl]methylbenzene
CID 626091
1-[ethoxy-[2-[ethoxy-[4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]phosphoryl]ethynyl]phosphoryl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 101180601
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
2,3-dihydro-1H-inden-2-yl ethyl [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] phosphate
CID 174245778
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
1-[ethoxy-[2-[ethoxy-[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]phenyl]phosphoryl]ethynyl]phosphoryl]-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
CID 102072005
[2-diethoxyphosphorylethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11604696
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane (CID 10778844) is 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane is CCOP(=O)(OCC)C1CC(C)CCC1C(C)C.
What is the InChIKey of 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is TYBNWQAGQWPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O3P/c1-6-16-18(15,17-7-2)14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane?
2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 276.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 10778844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).