10-methoxy-10-propyltricosane

C27H56O — CID 159618690

IUPAC10-methoxy-10-propyltricosane
SMILESCCCCCCCCCCCCCC(CCC)(CCCCCCCCC)OC
InChIInChI=1S/C27H56O/c1-5-8-10-12-14-15-16-17-19-21-23-26-27(28-4,24-7-3)25-22-20-18-13-11-9-6-2/h5-26H2,1-4H3
InChIKeyYVRQNAAYLDRTMS-UHFFFAOYSA-N
MW396.74 g/mol
LogP10.01
Rot. Bonds23

About 10-methoxy-10-propyltricosane

10-methoxy-10-propyltricosane (PubChem CID 159618690) has the molecular formula C27H56O and a molecular weight of 396.74 g/mol. Its IUPAC name is 10-methoxy-10-propyltricosane.

Molecular Properties

Compound Name10-methoxy-10-propyltricosane
PubChem CID159618690
Molecular FormulaC27H56O
Molecular Weight396.74 g/mol
Exact Mass396.43
IUPAC Name10-methoxy-10-propyltricosane
SMILESCCCCCCCCCCCCCC(CCC)(CCCCCCCCC)OC
InChIInChI=1S/C27H56O/c1-5-8-10-12-14-15-16-17-19-21-23-26-27(28-4,24-7-3)25-22-20-18-13-11-9-6-2/h5-26H2,1-4H3
InChIKeyYVRQNAAYLDRTMS-UHFFFAOYSA-N
XLogP10.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.74
LogP ≤ 510.01
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-methoxy-10-propylicosane
CID 158279749
11-methoxy-11-nonyltetracosane
CID 159441841
3-methoxy-3-propyloctan-1-ol
CID 142753036
3-ethyl-3-methoxydecane
CID 89190150
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
1,1,1-trimethoxytridecane
CID 102481821
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
5-propylnonan-5-yloxyphosphane
CID 23352969
4-hydroperoxyperoxy-4-propylpentadecane
CID 140640166
4-propoxyperoxy-4-propylundecane
CID 90111680

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-10-propyltricosane?
The IUPAC name of 10-methoxy-10-propyltricosane (CID 159618690) is 10-methoxy-10-propyltricosane.
What is the SMILES notation for 10-methoxy-10-propyltricosane?
The canonical SMILES for 10-methoxy-10-propyltricosane is CCCCCCCCCCCCCC(CCC)(CCCCCCCCC)OC.
What is the InChIKey of 10-methoxy-10-propyltricosane?
The InChIKey is YVRQNAAYLDRTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O/c1-5-8-10-12-14-15-16-17-19-21-23-26-27(28-4,24-7-3)25-22-20-18-13-11-9-6-2/h5-26H2,1-4H3.
What are the key properties of 10-methoxy-10-propyltricosane?
10-methoxy-10-propyltricosane has a molecular weight of 396.74 g/mol, XLogP of 10.01, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-10-propyltricosane is sourced from PubChem (CID 159618690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).