11-(hexoxymethyl)tricosane

C30H62O — CID 87840220

IUPAC11-(hexoxymethyl)tricosane
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COCCCCCC
InChIInChI=1S/C30H62O/c1-4-7-10-13-15-17-18-20-22-24-27-30(29-31-28-25-12-9-6-3)26-23-21-19-16-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKeyNNTLQXDRORHZFY-UHFFFAOYSA-N
MW438.83 g/mol
LogP11.04
Rot. Bonds27

About 11-(hexoxymethyl)tricosane

11-(hexoxymethyl)tricosane (PubChem CID 87840220) has the molecular formula C30H62O and a molecular weight of 438.83 g/mol. Its IUPAC name is 11-(hexoxymethyl)tricosane.

Molecular Properties

Compound Name11-(hexoxymethyl)tricosane
PubChem CID87840220
Molecular FormulaC30H62O
Molecular Weight438.83 g/mol
Exact Mass438.48
IUPAC Name11-(hexoxymethyl)tricosane
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COCCCCCC
InChIInChI=1S/C30H62O/c1-4-7-10-13-15-17-18-20-22-24-27-30(29-31-28-25-12-9-6-3)26-23-21-19-16-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKeyNNTLQXDRORHZFY-UHFFFAOYSA-N
XLogP11.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(hexoxymethyl)tricosane?
The IUPAC name of 11-(hexoxymethyl)tricosane (CID 87840220) is 11-(hexoxymethyl)tricosane.
What is the SMILES notation for 11-(hexoxymethyl)tricosane?
The canonical SMILES for 11-(hexoxymethyl)tricosane is CCCCCCCCCCCCC(CCCCCCCCCC)COCCCCCC.
What is the InChIKey of 11-(hexoxymethyl)tricosane?
The InChIKey is NNTLQXDRORHZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O/c1-4-7-10-13-15-17-18-20-22-24-27-30(29-31-28-25-12-9-6-3)26-23-21-19-16-14-11-8-5-2/h30H,4-29H2,1-3H3.
What are the key properties of 11-(hexoxymethyl)tricosane?
11-(hexoxymethyl)tricosane has a molecular weight of 438.83 g/mol, XLogP of 11.04, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(hexoxymethyl)tricosane is sourced from PubChem (CID 87840220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).