4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate

C34H67O5PSi2 — CID 91479043

IUPAC4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate
SMILESCCCCC[Si](C)(C)C1CCC(O)CC1.CCCCC[Si](C)(C)C1CCC(OC(=O)C2CCC(C(=O)OP)CC2)CC1
InChIInChI=1S/C21H39O4PSi.C13H28OSi/c1-4-5-6-15-27(2,3)19-13-11-18(12-14-19)24-20(22)16-7-9-17(10-8-16)21(23)25-26;1-4-5-6-11-15(2,3)13-9-7-12(14)8-10-13/h16-19H,4-15,26H2,1-3H3;12-14H,4-11H2,1-3H3
InChIKeyGKSNQCBDDZTMOZ-UHFFFAOYSA-N
MW643.05 g/mol
LogP10.07
Rot. Bonds13

About 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate

4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate (PubChem CID 91479043) has the molecular formula C34H67O5PSi2 and a molecular weight of 643.05 g/mol. Its IUPAC name is 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Name4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate
PubChem CID91479043
Molecular FormulaC34H67O5PSi2
Molecular Weight643.05 g/mol
Exact Mass642.43
IUPAC Name4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate
SMILESCCCCC[Si](C)(C)C1CCC(O)CC1.CCCCC[Si](C)(C)C1CCC(OC(=O)C2CCC(C(=O)OP)CC2)CC1
InChIInChI=1S/C21H39O4PSi.C13H28OSi/c1-4-5-6-15-27(2,3)19-13-11-18(12-14-19)24-20(22)16-7-9-17(10-8-16)21(23)25-26;1-4-5-6-11-15(2,3)13-9-7-12(14)8-10-13/h16-19H,4-15,26H2,1-3H3;12-14H,4-11H2,1-3H3
InChIKeyGKSNQCBDDZTMOZ-UHFFFAOYSA-N
XLogP10.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.05
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate?
The IUPAC name of 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate (CID 91479043) is 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate?
The canonical SMILES for 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate is CCCCC[Si](C)(C)C1CCC(O)CC1.CCCCC[Si](C)(C)C1CCC(OC(=O)C2CCC(C(=O)OP)CC2)CC1.
What is the InChIKey of 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate?
The InChIKey is GKSNQCBDDZTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39O4PSi.C13H28OSi/c1-4-5-6-15-27(2,3)19-13-11-18(12-14-19)24-20(22)16-7-9-17(10-8-16)21(23)25-26;1-4-5-6-11-15(2,3)13-9-7-12(14)8-10-13/h16-19H,4-15,26H2,1-3H3;12-14H,4-11H2,1-3H3.
What are the key properties of 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate?
4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate has a molecular weight of 643.05 g/mol, XLogP of 10.07, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(pentyl)silyl]cyclohexan-1-ol;1-O-[4-[dimethyl(pentyl)silyl]cyclohexyl] 4-O-phosphanyl cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 91479043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).