2-methyl-4-pentoxybutan-2-ol

C10H22O2 — CID 20825679

IUPAC2-methyl-4-pentoxybutan-2-ol
SMILESCCCCCOCCC(C)(C)O
InChIInChI=1S/C10H22O2/c1-4-5-6-8-12-9-7-10(2,3)11/h11H,4-9H2,1-3H3
InChIKeyXNDQSLZZDRPBKY-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.35
Rot. Bonds7

About 2-methyl-4-pentoxybutan-2-ol

2-methyl-4-pentoxybutan-2-ol (PubChem CID 20825679) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-methyl-4-pentoxybutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-pentoxybutan-2-ol
PubChem CID20825679
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-methyl-4-pentoxybutan-2-ol
SMILESCCCCCOCCC(C)(C)O
InChIInChI=1S/C10H22O2/c1-4-5-6-8-12-9-7-10(2,3)11/h11H,4-9H2,1-3H3
InChIKeyXNDQSLZZDRPBKY-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentoxybutan-2-ol?
The IUPAC name of 2-methyl-4-pentoxybutan-2-ol (CID 20825679) is 2-methyl-4-pentoxybutan-2-ol.
What is the SMILES notation for 2-methyl-4-pentoxybutan-2-ol?
The canonical SMILES for 2-methyl-4-pentoxybutan-2-ol is CCCCCOCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-pentoxybutan-2-ol?
The InChIKey is XNDQSLZZDRPBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-5-6-8-12-9-7-10(2,3)11/h11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-4-pentoxybutan-2-ol?
2-methyl-4-pentoxybutan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentoxybutan-2-ol is sourced from PubChem (CID 20825679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).