5-methyl-5-propan-2-yloxyhexan-1-ol

C10H22O2 — CID 54256452

IUPAC5-methyl-5-propan-2-yloxyhexan-1-ol
SMILESCC(C)OC(C)(C)CCCCO
InChIInChI=1S/C10H22O2/c1-9(2)12-10(3,4)7-5-6-8-11/h9,11H,5-8H2,1-4H3
InChIKeyRAKLTDSJJJTITC-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.35
Rot. Bonds6

About 5-methyl-5-propan-2-yloxyhexan-1-ol

5-methyl-5-propan-2-yloxyhexan-1-ol (PubChem CID 54256452) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yloxyhexan-1-ol.

Molecular Properties

Compound Name5-methyl-5-propan-2-yloxyhexan-1-ol
PubChem CID54256452
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name5-methyl-5-propan-2-yloxyhexan-1-ol
SMILESCC(C)OC(C)(C)CCCCO
InChIInChI=1S/C10H22O2/c1-9(2)12-10(3,4)7-5-6-8-11/h9,11H,5-8H2,1-4H3
InChIKeyRAKLTDSJJJTITC-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze 5-methyl-5-propan-2-yloxyhexan-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

5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
CID 142783625
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
7-methoxy-7-methyloctan-1-ol
CID 175444354
2-hydroxysulfanyl-2,5-dimethyl-5-propan-2-yloxyhexane
CID 138496495
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
5-methylheptane-1,5,6-triol
CID 87279816
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
CID 129202737
7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 155653781
7-[6-(8-hydroxy-2,6-dimethyloctan-2-yl)oxyhexoxy]-3,7-dimethyloctan-1-ol;7-(6-hydroxyhexoxy)-3,7-dimethyloctan-1-ol;7-[7-(6-hydroxyhexoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctan-1-ol
CID 159888047
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yloxyhexan-1-ol?
The IUPAC name of 5-methyl-5-propan-2-yloxyhexan-1-ol (CID 54256452) is 5-methyl-5-propan-2-yloxyhexan-1-ol.
What is the SMILES notation for 5-methyl-5-propan-2-yloxyhexan-1-ol?
The canonical SMILES for 5-methyl-5-propan-2-yloxyhexan-1-ol is CC(C)OC(C)(C)CCCCO.
What is the InChIKey of 5-methyl-5-propan-2-yloxyhexan-1-ol?
The InChIKey is RAKLTDSJJJTITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2)12-10(3,4)7-5-6-8-11/h9,11H,5-8H2,1-4H3.
What are the key properties of 5-methyl-5-propan-2-yloxyhexan-1-ol?
5-methyl-5-propan-2-yloxyhexan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yloxyhexan-1-ol is sourced from PubChem (CID 54256452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).