7-(nonoxymethyl)pentadecane

C25H52O — CID 86224814

IUPAC7-(nonoxymethyl)pentadecane
SMILESCCCCCCCCCOCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C25H52O/c1-4-7-10-13-15-17-20-23-26-24-25(21-18-12-9-6-3)22-19-16-14-11-8-5-2/h25H,4-24H2,1-3H3
InChIKeyOWNRDWKJESVAHG-UHFFFAOYSA-N
MW368.69 g/mol
LogP9.09
Rot. Bonds22

About 7-(nonoxymethyl)pentadecane

7-(nonoxymethyl)pentadecane (PubChem CID 86224814) has the molecular formula C25H52O and a molecular weight of 368.69 g/mol. Its IUPAC name is 7-(nonoxymethyl)pentadecane.

Molecular Properties

Compound Name7-(nonoxymethyl)pentadecane
PubChem CID86224814
Molecular FormulaC25H52O
Molecular Weight368.69 g/mol
Exact Mass368.40
IUPAC Name7-(nonoxymethyl)pentadecane
SMILESCCCCCCCCCOCC(CCCCCC)CCCCCCCC
InChIInChI=1S/C25H52O/c1-4-7-10-13-15-17-20-23-26-24-25(21-18-12-9-6-3)22-19-16-14-11-8-5-2/h25H,4-24H2,1-3H3
InChIKeyOWNRDWKJESVAHG-UHFFFAOYSA-N
XLogP9.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 59.09
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
9-(tetradecoxymethyl)nonadecane
CID 142746550
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-tetradecyloctadecoxy)ethanamine
CID 139605045
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053
2-(2-hexyldecoxy)ethanamine
CID 139605050
10-[2-(2-decyltetradecoxy)ethoxy]decanal
CID 59905363

Frequently Asked Questions

What is the IUPAC name of 7-(nonoxymethyl)pentadecane?
The IUPAC name of 7-(nonoxymethyl)pentadecane (CID 86224814) is 7-(nonoxymethyl)pentadecane.
What is the SMILES notation for 7-(nonoxymethyl)pentadecane?
The canonical SMILES for 7-(nonoxymethyl)pentadecane is CCCCCCCCCOCC(CCCCCC)CCCCCCCC.
What is the InChIKey of 7-(nonoxymethyl)pentadecane?
The InChIKey is OWNRDWKJESVAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O/c1-4-7-10-13-15-17-20-23-26-24-25(21-18-12-9-6-3)22-19-16-14-11-8-5-2/h25H,4-24H2,1-3H3.
What are the key properties of 7-(nonoxymethyl)pentadecane?
7-(nonoxymethyl)pentadecane has a molecular weight of 368.69 g/mol, XLogP of 9.09, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(nonoxymethyl)pentadecane is sourced from PubChem (CID 86224814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).