2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane

C19H36O4 — CID 58879072

IUPAC2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
SMILESC(CCOCC1CCCCCO1)CCOCC1CCCCCO1
InChIInChI=1S/C19H36O4/c1-4-10-18(22-14-8-1)16-20-12-6-3-7-13-21-17-19-11-5-2-9-15-23-19/h18-19H,1-17H2
InChIKeyFTAWMJMWVKNIBE-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.11
Rot. Bonds10

About 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane

2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane (PubChem CID 58879072) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane.

Molecular Properties

Compound Name2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
PubChem CID58879072
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
SMILESC(CCOCC1CCCCCO1)CCOCC1CCCCCO1
InChIInChI=1S/C19H36O4/c1-4-10-18(22-14-8-1)16-20-12-6-3-7-13-21-17-19-11-5-2-9-15-23-19/h18-19H,1-17H2
InChIKeyFTAWMJMWVKNIBE-UHFFFAOYSA-N
XLogP4.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 63054995
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N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
butyl-[4-(oxolan-2-ylmethoxy)butyl]indigane
CID 150919009
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane?
The IUPAC name of 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane (CID 58879072) is 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane.
What is the SMILES notation for 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane?
The canonical SMILES for 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane is C(CCOCC1CCCCCO1)CCOCC1CCCCCO1.
What is the InChIKey of 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane?
The InChIKey is FTAWMJMWVKNIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-4-10-18(22-14-8-1)16-20-12-6-3-7-13-21-17-19-11-5-2-9-15-23-19/h18-19H,1-17H2.
What are the key properties of 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane?
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane has a molecular weight of 328.49 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane is sourced from PubChem (CID 58879072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).