9-(4-methylpentoxymethyl)nonadecane

C26H54O — CID 59523007

IUPAC9-(4-methylpentoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)COCCCC(C)C
InChIInChI=1S/C26H54O/c1-5-7-9-11-13-14-16-18-22-26(21-17-15-12-10-8-6-2)24-27-23-19-20-25(3)4/h25-26H,5-24H2,1-4H3
InChIKeyQNQTXAWWNJXMHP-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.34
Rot. Bonds22

About 9-(4-methylpentoxymethyl)nonadecane

9-(4-methylpentoxymethyl)nonadecane (PubChem CID 59523007) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 9-(4-methylpentoxymethyl)nonadecane.

Molecular Properties

Compound Name9-(4-methylpentoxymethyl)nonadecane
PubChem CID59523007
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name9-(4-methylpentoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)COCCCC(C)C
InChIInChI=1S/C26H54O/c1-5-7-9-11-13-14-16-18-22-26(21-17-15-12-10-8-6-2)24-27-23-19-20-25(3)4/h25-26H,5-24H2,1-4H3
InChIKeyQNQTXAWWNJXMHP-UHFFFAOYSA-N
XLogP9.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.34
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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Related Compounds

10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
4-(butoxymethyl)nonane
CID 87066766
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
2-(2-tetradecyloctadecoxy)ethanamine
CID 139605045
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
2-(2-hexyldecoxy)ethanamine
CID 139605050
5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine
CID 170054282
(8R)-8-(methoxymethyl)-2-methylundecane
CID 118890150

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylpentoxymethyl)nonadecane?
The IUPAC name of 9-(4-methylpentoxymethyl)nonadecane (CID 59523007) is 9-(4-methylpentoxymethyl)nonadecane.
What is the SMILES notation for 9-(4-methylpentoxymethyl)nonadecane?
The canonical SMILES for 9-(4-methylpentoxymethyl)nonadecane is CCCCCCCCCCC(CCCCCCCC)COCCCC(C)C.
What is the InChIKey of 9-(4-methylpentoxymethyl)nonadecane?
The InChIKey is QNQTXAWWNJXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-5-7-9-11-13-14-16-18-22-26(21-17-15-12-10-8-6-2)24-27-23-19-20-25(3)4/h25-26H,5-24H2,1-4H3.
What are the key properties of 9-(4-methylpentoxymethyl)nonadecane?
9-(4-methylpentoxymethyl)nonadecane has a molecular weight of 382.72 g/mol, XLogP of 9.34, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpentoxymethyl)nonadecane is sourced from PubChem (CID 59523007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).