5-(3-methylbutan-2-yloxy)pentan-1-ol

C10H22O2 — CID 58556716

IUPAC5-(3-methylbutan-2-yloxy)pentan-1-ol
SMILESCC(C)C(C)OCCCCCO
InChIInChI=1S/C10H22O2/c1-9(2)10(3)12-8-6-4-5-7-11/h9-11H,4-8H2,1-3H3
InChIKeyPLWWFMWNXKFSHE-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds7

About 5-(3-methylbutan-2-yloxy)pentan-1-ol

5-(3-methylbutan-2-yloxy)pentan-1-ol (PubChem CID 58556716) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name5-(3-methylbutan-2-yloxy)pentan-1-ol
PubChem CID58556716
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name5-(3-methylbutan-2-yloxy)pentan-1-ol
SMILESCC(C)C(C)OCCCCCO
InChIInChI=1S/C10H22O2/c1-9(2)10(3)12-8-6-4-5-7-11/h9-11H,4-8H2,1-3H3
InChIKeyPLWWFMWNXKFSHE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-methylbutan-2-yloxy)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
7-butan-2-yloxyheptan-1-ol
CID 90727194
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
6-(difluoromethoxy)hexan-1-ol
CID 169119350
4-methyl-1-(3-methylbutan-2-yloxy)pentane
CID 123348302
4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol
CID 143115873
6-(3-methylbutan-2-yloxy)hex-1-ene
CID 123623641
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
5-(5-methoxyhexoxy)hexan-1-ol
CID 165144322

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yloxy)pentan-1-ol?
The IUPAC name of 5-(3-methylbutan-2-yloxy)pentan-1-ol (CID 58556716) is 5-(3-methylbutan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 5-(3-methylbutan-2-yloxy)pentan-1-ol?
The canonical SMILES for 5-(3-methylbutan-2-yloxy)pentan-1-ol is CC(C)C(C)OCCCCCO.
What is the InChIKey of 5-(3-methylbutan-2-yloxy)pentan-1-ol?
The InChIKey is PLWWFMWNXKFSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2)10(3)12-8-6-4-5-7-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-(3-methylbutan-2-yloxy)pentan-1-ol?
5-(3-methylbutan-2-yloxy)pentan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 58556716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).