[(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol

C43H86O3 — CID 165415511

IUPAC[(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol
SMILESCC1CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CC1
InChIInChI=1S/C43H86O3/c1-35-15-9-17-37(3)21-13-25-41(7)29-31-45-34-43(33-44)46-32-30-42(8)26-14-22-38(4)18-10-16-36(2)20-12-24-40(6)28-27-39(5)23-11-19-35/h35-44H,9-34H2,1-8H3/t35-,36-,37+,38+,39?,40?,41+,42+,43+/m0/s1
InChIKeySCROVKPCXMRTCT-NEEOITLYSA-N
MW651.16 g/mol
LogP13.07
Rot. Bonds1

About [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol

[(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol (PubChem CID 165415511) has the molecular formula C43H86O3 and a molecular weight of 651.16 g/mol. Its IUPAC name is [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol.

Molecular Properties

Compound Name[(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol
PubChem CID165415511
Molecular FormulaC43H86O3
Molecular Weight651.16 g/mol
Exact Mass650.66
IUPAC Name[(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol
SMILESCC1CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CC1
InChIInChI=1S/C43H86O3/c1-35-15-9-17-37(3)21-13-25-41(7)29-31-45-34-43(33-44)46-32-30-42(8)26-14-22-38(4)18-10-16-36(2)20-12-24-40(6)28-27-39(5)23-11-19-35/h35-44H,9-34H2,1-8H3/t35-,36-,37+,38+,39?,40?,41+,42+,43+/m0/s1
InChIKeySCROVKPCXMRTCT-NEEOITLYSA-N
XLogP13.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.16
LogP ≤ 513.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol?
The IUPAC name of [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol (CID 165415511) is [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol.
What is the SMILES notation for [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol?
The canonical SMILES for [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol is CC1CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CC1.
What is the InChIKey of [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol?
The InChIKey is SCROVKPCXMRTCT-NEEOITLYSA-N. The full InChI is InChI=1S/C43H86O3/c1-35-15-9-17-37(3)21-13-25-41(7)29-31-45-34-43(33-44)46-32-30-42(8)26-14-22-38(4)18-10-16-36(2)20-12-24-40(6)28-27-39(5)23-11-19-35/h35-44H,9-34H2,1-8H3/t35-,36-,37+,38+,39?,40?,41+,42+,43+/m0/s1.
What are the key properties of [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol?
[(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol has a molecular weight of 651.16 g/mol, XLogP of 13.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,7R,11R,15S,26S,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacont-2-yl]methanol is sourced from PubChem (CID 165415511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).