2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol

C12H26O2 — CID 106459431

IUPAC2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
SMILESCCCC(C)(CO)CCOCC(C)C
InChIInChI=1S/C12H26O2/c1-5-6-12(4,10-13)7-8-14-9-11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyGRDZVCMXFMLLKC-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.85
Rot. Bonds8

About 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol

2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol (PubChem CID 106459431) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
PubChem CID106459431
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
SMILESCCCC(C)(CO)CCOCC(C)C
InChIInChI=1S/C12H26O2/c1-5-6-12(4,10-13)7-8-14-9-11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyGRDZVCMXFMLLKC-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456865
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142
3,3-bis(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459822
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
CID 106454883
3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane
CID 87248461
3-methyl-3-(2-methylpropoxy)-1-propoxybutane
CID 87248462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol (CID 106459431) is 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol is CCCC(C)(CO)CCOCC(C)C.
What is the InChIKey of 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol?
The InChIKey is GRDZVCMXFMLLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-6-12(4,10-13)7-8-14-9-11(2)3/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol?
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol is sourced from PubChem (CID 106459431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).