(2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol

C18H38O3 — CID 74982243

IUPAC(2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol
SMILESCOCOC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C18H38O3/c1-14(7-15(2)9-17(4)11-19)8-16(3)10-18(5)12-21-13-20-6/h14-19H,7-13H2,1-6H3/t14-,15+,16-,17+,18-/m0/s1
InChIKeySQFIKIFJFKKRJE-RZFLPCETSA-N
MW302.50 g/mol
LogP4.34
Rot. Bonds13

About (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol

(2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol (PubChem CID 74982243) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol.

Molecular Properties

Compound Name(2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol
PubChem CID74982243
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name(2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol
SMILESCOCOC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C18H38O3/c1-14(7-15(2)9-17(4)11-19)8-16(3)10-18(5)12-21-13-20-6/h14-19H,7-13H2,1-6H3/t14-,15+,16-,17+,18-/m0/s1
InChIKeySQFIKIFJFKKRJE-RZFLPCETSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol?
The IUPAC name of (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol (CID 74982243) is (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol.
What is the SMILES notation for (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol?
The canonical SMILES for (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol is COCOC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO.
What is the InChIKey of (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol?
The InChIKey is SQFIKIFJFKKRJE-RZFLPCETSA-N. The full InChI is InChI=1S/C18H38O3/c1-14(7-15(2)9-17(4)11-19)8-16(3)10-18(5)12-21-13-20-6/h14-19H,7-13H2,1-6H3/t14-,15+,16-,17+,18-/m0/s1.
What are the key properties of (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol?
(2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol has a molecular weight of 302.50 g/mol, XLogP of 4.34, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S,8S,10S)-11-(methoxymethoxy)-2,4,6,8,10-pentamethylundecan-1-ol is sourced from PubChem (CID 74982243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).