9-(tetradecoxymethyl)nonadecane

C34H70O — CID 142746550

IUPAC9-(tetradecoxymethyl)nonadecane
SMILESCCCCCCCCCCCCCCOCC(CCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C34H70O/c1-4-7-10-13-16-18-19-20-21-23-26-29-32-35-33-34(30-27-24-15-12-9-6-3)31-28-25-22-17-14-11-8-5-2/h34H,4-33H2,1-3H3
InChIKeyARNNWNHAHIXXHH-UHFFFAOYSA-N
MW494.93 g/mol
LogP12.60
Rot. Bonds31

About 9-(tetradecoxymethyl)nonadecane

9-(tetradecoxymethyl)nonadecane (PubChem CID 142746550) has the molecular formula C34H70O and a molecular weight of 494.93 g/mol. Its IUPAC name is 9-(tetradecoxymethyl)nonadecane.

Molecular Properties

Compound Name9-(tetradecoxymethyl)nonadecane
PubChem CID142746550
Molecular FormulaC34H70O
Molecular Weight494.93 g/mol
Exact Mass494.54
IUPAC Name9-(tetradecoxymethyl)nonadecane
SMILESCCCCCCCCCCCCCCOCC(CCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C34H70O/c1-4-7-10-13-16-18-19-20-21-23-26-29-32-35-33-34(30-27-24-15-12-9-6-3)31-28-25-22-17-14-11-8-5-2/h34H,4-33H2,1-3H3
InChIKeyARNNWNHAHIXXHH-UHFFFAOYSA-N
XLogP12.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 512.60
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

6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
10-(butoxymethyl)henicosane
CID 87840055
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
4-(butoxymethyl)nonane
CID 87066766
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine
CID 170054282
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053
2-(2-hexyldecoxy)ethanamine
CID 139605050
2-(2-tetradecyloctadecoxy)ethanamine
CID 139605045
10-[2-(2-decyltetradecoxy)ethoxy]decanal
CID 59905363

Frequently Asked Questions

What is the IUPAC name of 9-(tetradecoxymethyl)nonadecane?
The IUPAC name of 9-(tetradecoxymethyl)nonadecane (CID 142746550) is 9-(tetradecoxymethyl)nonadecane.
What is the SMILES notation for 9-(tetradecoxymethyl)nonadecane?
The canonical SMILES for 9-(tetradecoxymethyl)nonadecane is CCCCCCCCCCCCCCOCC(CCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 9-(tetradecoxymethyl)nonadecane?
The InChIKey is ARNNWNHAHIXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O/c1-4-7-10-13-16-18-19-20-21-23-26-29-32-35-33-34(30-27-24-15-12-9-6-3)31-28-25-22-17-14-11-8-5-2/h34H,4-33H2,1-3H3.
What are the key properties of 9-(tetradecoxymethyl)nonadecane?
9-(tetradecoxymethyl)nonadecane has a molecular weight of 494.93 g/mol, XLogP of 12.60, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(tetradecoxymethyl)nonadecane is sourced from PubChem (CID 142746550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).