5-methoxy-5-pentoxytetradecane

C20H42O2 — CID 161410500

IUPAC5-methoxy-5-pentoxytetradecane
SMILESCCCCCCCCCC(CCCC)(OC)OCCCCC
InChIInChI=1S/C20H42O2/c1-5-8-11-12-13-14-15-18-20(21-4,17-10-7-3)22-19-16-9-6-2/h5-19H2,1-4H3
InChIKeyVVKDHMKSGIETNP-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.87
Rot. Bonds17

About 5-methoxy-5-pentoxytetradecane

5-methoxy-5-pentoxytetradecane (PubChem CID 161410500) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 5-methoxy-5-pentoxytetradecane.

Molecular Properties

Compound Name5-methoxy-5-pentoxytetradecane
PubChem CID161410500
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name5-methoxy-5-pentoxytetradecane
SMILESCCCCCCCCCC(CCCC)(OC)OCCCCC
InChIInChI=1S/C20H42O2/c1-5-8-11-12-13-14-15-18-20(21-4,17-10-7-3)22-19-16-9-6-2/h5-19H2,1-4H3
InChIKeyVVKDHMKSGIETNP-UHFFFAOYSA-N
XLogP6.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-dipentoxytridecane
CID 150402661
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
3,3-dimethoxynonane
CID 14785776
10,10-dipropoxyicosane
CID 150666261
6,6-dipropoxydodecane
CID 89440027
7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
CID 175370963
5,5-dibutoxynonane
CID 89440038
1,4,4-trimethoxytridecane
CID 150006661
3-[1,3-di(tetradecoxy)hexadecan-3-yloxy]-1,3-di(tetradecoxy)hexadecane
CID 166067358
1,2,2-trimethoxyundecane
CID 151416745
10-decoxy-10-nonylnonadecane
CID 150430521
5,5-dimethoxytetradecan-1-amine
CID 150037650

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-pentoxytetradecane?
The IUPAC name of 5-methoxy-5-pentoxytetradecane (CID 161410500) is 5-methoxy-5-pentoxytetradecane.
What is the SMILES notation for 5-methoxy-5-pentoxytetradecane?
The canonical SMILES for 5-methoxy-5-pentoxytetradecane is CCCCCCCCCC(CCCC)(OC)OCCCCC.
What is the InChIKey of 5-methoxy-5-pentoxytetradecane?
The InChIKey is VVKDHMKSGIETNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-5-8-11-12-13-14-15-18-20(21-4,17-10-7-3)22-19-16-9-6-2/h5-19H2,1-4H3.
What are the key properties of 5-methoxy-5-pentoxytetradecane?
5-methoxy-5-pentoxytetradecane has a molecular weight of 314.55 g/mol, XLogP of 6.87, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-pentoxytetradecane is sourced from PubChem (CID 161410500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).