3-(3-methylbutan-2-yloxy)propan-1-ol

C8H18O2 — CID 58556710

IUPAC3-(3-methylbutan-2-yloxy)propan-1-ol
SMILESCC(C)C(C)OCCCO
InChIInChI=1S/C8H18O2/c1-7(2)8(3)10-6-4-5-9/h7-9H,4-6H2,1-3H3
InChIKeyYNLNPGHSHMQQCW-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds5

About 3-(3-methylbutan-2-yloxy)propan-1-ol

3-(3-methylbutan-2-yloxy)propan-1-ol (PubChem CID 58556710) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-methylbutan-2-yloxy)propan-1-ol
PubChem CID58556710
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3-(3-methylbutan-2-yloxy)propan-1-ol
SMILESCC(C)C(C)OCCCO
InChIInChI=1S/C8H18O2/c1-7(2)8(3)10-6-4-5-9/h7-9H,4-6H2,1-3H3
InChIKeyYNLNPGHSHMQQCW-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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 3-(3-methylbutan-2-yloxy)propan-1-ol?
The IUPAC name of 3-(3-methylbutan-2-yloxy)propan-1-ol (CID 58556710) is 3-(3-methylbutan-2-yloxy)propan-1-ol.
What is the SMILES notation for 3-(3-methylbutan-2-yloxy)propan-1-ol?
The canonical SMILES for 3-(3-methylbutan-2-yloxy)propan-1-ol is CC(C)C(C)OCCCO.
What is the InChIKey of 3-(3-methylbutan-2-yloxy)propan-1-ol?
The InChIKey is YNLNPGHSHMQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2)8(3)10-6-4-5-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(3-methylbutan-2-yloxy)propan-1-ol?
3-(3-methylbutan-2-yloxy)propan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yloxy)propan-1-ol is sourced from PubChem (CID 58556710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).