10-decoxy-10-nonylnonadecane

C38H78O — CID 150430521

IUPAC10-decoxy-10-nonylnonadecane
SMILESCCCCCCCCCCOC(CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C38H78O/c1-5-9-13-17-21-25-29-33-37-39-38(34-30-26-22-18-14-10-6-2,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-37H2,1-4H3
InChIKeyHJRMPXWNFUQLJJ-UHFFFAOYSA-N
MW551.04 g/mol
LogP14.30
Rot. Bonds34

About 10-decoxy-10-nonylnonadecane

10-decoxy-10-nonylnonadecane (PubChem CID 150430521) has the molecular formula C38H78O and a molecular weight of 551.04 g/mol. Its IUPAC name is 10-decoxy-10-nonylnonadecane.

Molecular Properties

Compound Name10-decoxy-10-nonylnonadecane
PubChem CID150430521
Molecular FormulaC38H78O
Molecular Weight551.04 g/mol
Exact Mass550.61
IUPAC Name10-decoxy-10-nonylnonadecane
SMILESCCCCCCCCCCOC(CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C38H78O/c1-5-9-13-17-21-25-29-33-37-39-38(34-30-26-22-18-14-10-6-2,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-37H2,1-4H3
InChIKeyHJRMPXWNFUQLJJ-UHFFFAOYSA-N
XLogP14.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.04
LogP ≤ 514.30
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

16-ethyl-16-(10-fluorodecoxy)hentriacontane
CID 139725302
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CID 158074564
9-heptoxy-9-methylhenicosane
CID 91127088
4,4-dipentoxytridecane
CID 150402661
1-decoxydecane-1,1-diamine
CID 87410137
2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride
CID 173113328
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
14-tridecyloctacosan-14-yloxysilane
CID 173060340
11-methoxy-11-nonyltetracosane
CID 159441841

Frequently Asked Questions

What is the IUPAC name of 10-decoxy-10-nonylnonadecane?
The IUPAC name of 10-decoxy-10-nonylnonadecane (CID 150430521) is 10-decoxy-10-nonylnonadecane.
What is the SMILES notation for 10-decoxy-10-nonylnonadecane?
The canonical SMILES for 10-decoxy-10-nonylnonadecane is CCCCCCCCCCOC(CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC.
What is the InChIKey of 10-decoxy-10-nonylnonadecane?
The InChIKey is HJRMPXWNFUQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78O/c1-5-9-13-17-21-25-29-33-37-39-38(34-30-26-22-18-14-10-6-2,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-37H2,1-4H3.
What are the key properties of 10-decoxy-10-nonylnonadecane?
10-decoxy-10-nonylnonadecane has a molecular weight of 551.04 g/mol, XLogP of 14.30, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-decoxy-10-nonylnonadecane is sourced from PubChem (CID 150430521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).