1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane

C29H60O12 — CID 58473516

IUPAC1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(C)C
InChIInChI=1S/C29H60O12/c1-29(2)5-4-6-31-9-10-33-13-14-35-17-18-37-21-22-39-25-26-41-28-27-40-24-23-38-20-19-36-16-15-34-12-11-32-8-7-30-3/h29H,4-28H2,1-3H3
InChIKeyGKBDPPXMEROPQH-UHFFFAOYSA-N
MW600.79 g/mol
LogP2.25
Rot. Bonds37

About 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane

1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane (PubChem CID 58473516) has the molecular formula C29H60O12 and a molecular weight of 600.79 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
PubChem CID58473516
Molecular FormulaC29H60O12
Molecular Weight600.79 g/mol
Exact Mass600.41
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(C)C
InChIInChI=1S/C29H60O12/c1-29(2)5-4-6-31-9-10-33-13-14-35-17-18-37-21-22-39-25-26-41-28-27-40-24-23-38-20-19-36-16-15-34-12-11-32-8-7-30-3/h29H,4-28H2,1-3H3
InChIKeyGKBDPPXMEROPQH-UHFFFAOYSA-N
XLogP2.25
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.79
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
CID 158254668
1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 166678636
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
6-(2-methoxyethoxy)-3-methylhexan-2-amine
CID 103410671
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-methylpentane;1-[2-(2-ethoxyethoxy)ethoxy]-4-methylpentane;1-(2-ethoxyethoxy)-4-methylpentane;methane;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methylpentane;bis(1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane);1-(2-methoxyethoxymethoxy)-4-methylpentane;1-(2-methoxyethoxy)-4-methylpentane;1-(methoxymethoxy)-4-methylpentane;1-methoxy-4-methylpentane;4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentane;4-methyl-1-(2-propoxyethoxy)pentane
CID 159796122

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane (CID 58473516) is 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane?
The InChIKey is GKBDPPXMEROPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O12/c1-29(2)5-4-6-31-9-10-33-13-14-35-17-18-37-21-22-39-25-26-41-28-27-40-24-23-38-20-19-36-16-15-34-12-11-32-8-7-30-3/h29H,4-28H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane?
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane has a molecular weight of 600.79 g/mol, XLogP of 2.25, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane is sourced from PubChem (CID 58473516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).