[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane

C14H28O2 — CID 141250115

IUPAC[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane
SMILESCOCC(COC)(CC(C)C)CC1CCC1
InChIInChI=1S/C14H28O2/c1-12(2)8-14(10-15-3,11-16-4)9-13-6-5-7-13/h12-13H,5-11H2,1-4H3
InChIKeyNRCKVSLMGIEVKB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.50
Rot. Bonds8

About [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane

[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane (PubChem CID 141250115) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane.

Molecular Properties

Compound Name[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane
PubChem CID141250115
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane
SMILESCOCC(COC)(CC(C)C)CC1CCC1
InChIInChI=1S/C14H28O2/c1-12(2)8-14(10-15-3,11-16-4)9-13-6-5-7-13/h12-13H,5-11H2,1-4H3
InChIKeyNRCKVSLMGIEVKB-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2-Bis(methoxymethyl)pentylcyclohexane
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3-Ethyl-1,8-dimethoxyoctane
CID 21513037
7,7-Bis(methoxymethyl)-2,6,10,14-tetramethylpentadecane
CID 21623103
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CID 21623107
[1-Ethoxy-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane
CID 21852221
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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane?
The IUPAC name of [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane (CID 141250115) is [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane.
What is the SMILES notation for [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane?
The canonical SMILES for [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane is COCC(COC)(CC(C)C)CC1CCC1.
What is the InChIKey of [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane?
The InChIKey is NRCKVSLMGIEVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-12(2)8-14(10-15-3,11-16-4)9-13-6-5-7-13/h12-13H,5-11H2,1-4H3.
What are the key properties of [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane?
[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane has a molecular weight of 228.38 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane is sourced from PubChem (CID 141250115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).