hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium

C16H32O3P+ — CID 21145328

IUPAChexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium
SMILESCCCCCCO[P+](=O)OC1C[C@H](C)CCC1C(C)C
InChIInChI=1S/C16H32O3P/c1-5-6-7-8-11-18-20(17)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/q+1/t14-,15?,16?/m1/s1
InChIKeyKRWVRLDDYUUPGP-QQFBHYJXSA-N
MW303.40 g/mol
LogP5.72
Rot. Bonds9

About hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium

hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium (PubChem CID 21145328) has the molecular formula C16H32O3P+ and a molecular weight of 303.40 g/mol. Its IUPAC name is hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium.

Molecular Properties

Compound Namehexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium
PubChem CID21145328
Molecular FormulaC16H32O3P+
Molecular Weight303.40 g/mol
Exact Mass303.21
IUPAC Namehexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium
SMILESCCCCCCO[P+](=O)OC1C[C@H](C)CCC1C(C)C
InChIInChI=1S/C16H32O3P/c1-5-6-7-8-11-18-20(17)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/q+1/t14-,15?,16?/m1/s1
InChIKeyKRWVRLDDYUUPGP-QQFBHYJXSA-N
XLogP5.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.72
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

(1R)-menthyl hexyl phosphonate group
CID 446980
bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
CID 15372034
Phosphorothioic acid, O,O-dimethyl O-p-menth-3-yl ester
CID 205682
2-Isopropyl-5-methylcyclohexyl methylphosphonofluoridate
CID 565494
Phosphite, tri-(-)-menthyl-
CID 586985
(1S)-menthyl hexyl phosphonate group
CID 446981
fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid
CID 12061186
2-Isopropyl-5-methylcyclohexyl ethylfluorophosphonate
CID 129770821
2-Isopropyl-5-methylcyclohexyl methylfluorophosphonate
CID 129770846
2-[Amino-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
CID 3703917
O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate
CID 5142898
Ethyl menthyl (methylthio)methylphosphonate
CID 100930006

Frequently Asked Questions

What is the IUPAC name of hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
The IUPAC name of hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium (CID 21145328) is hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium.
What is the SMILES notation for hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
The canonical SMILES for hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium is CCCCCCO[P+](=O)OC1C[C@H](C)CCC1C(C)C.
What is the InChIKey of hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
The InChIKey is KRWVRLDDYUUPGP-QQFBHYJXSA-N. The full InChI is InChI=1S/C16H32O3P/c1-5-6-7-8-11-18-20(17)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3/q+1/t14-,15?,16?/m1/s1.
What are the key properties of hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium?
hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium has a molecular weight of 303.40 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium is sourced from PubChem (CID 21145328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).