1-(2-methylpentoxy)ethanol

C8H18O2 — CID 173285010

IUPAC1-(2-methylpentoxy)ethanol
SMILESCCCC(C)COC(C)O
InChIInChI=1S/C8H18O2/c1-4-5-7(2)6-10-8(3)9/h7-9H,4-6H2,1-3H3
InChIKeyCPLJQZNTHIXVHW-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-methylpentoxy)ethanol

1-(2-methylpentoxy)ethanol (PubChem CID 173285010) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-(2-methylpentoxy)ethanol.

Molecular Properties

Compound Name1-(2-methylpentoxy)ethanol
PubChem CID173285010
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-(2-methylpentoxy)ethanol
SMILESCCCC(C)COC(C)O
InChIInChI=1S/C8H18O2/c1-4-5-7(2)6-10-8(3)9/h7-9H,4-6H2,1-3H3
InChIKeyCPLJQZNTHIXVHW-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethylnonan-4-ol
CID 56626033
3-methyl-4-(2-methylpentoxy)butan-2-ol
CID 19013944
1-hydroperoxy-4,6-dimethylnonane
CID 23324423
2-methylpentyl hypofluorite
CID 164530616
1-(2-hexyldecoxy)ethanol
CID 21270603
2-(2-methylpentoxy)hexanoic acid
CID 103282733
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
6-methylnonan-2-ol
CID 19931334
5-methyloctan-3-ol
CID 19931017
N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
CID 103285664
5-methyl-6-propan-2-yloxy-2-propylhexan-1-ol
CID 164784584

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentoxy)ethanol?
The IUPAC name of 1-(2-methylpentoxy)ethanol (CID 173285010) is 1-(2-methylpentoxy)ethanol.
What is the SMILES notation for 1-(2-methylpentoxy)ethanol?
The canonical SMILES for 1-(2-methylpentoxy)ethanol is CCCC(C)COC(C)O.
What is the InChIKey of 1-(2-methylpentoxy)ethanol?
The InChIKey is CPLJQZNTHIXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-5-7(2)6-10-8(3)9/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylpentoxy)ethanol?
1-(2-methylpentoxy)ethanol has a molecular weight of 146.23 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentoxy)ethanol is sourced from PubChem (CID 173285010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).