3-methyl-3-propan-2-yloxypentan-1-ol

C9H20O2 — CID 123376010

IUPAC3-methyl-3-propan-2-yloxypentan-1-ol
SMILESCCC(C)(CCO)OC(C)C
InChIInChI=1S/C9H20O2/c1-5-9(4,6-7-10)11-8(2)3/h8,10H,5-7H2,1-4H3
InChIKeyLHJCNHDMYULAKE-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.96
Rot. Bonds5

About 3-methyl-3-propan-2-yloxypentan-1-ol

3-methyl-3-propan-2-yloxypentan-1-ol (PubChem CID 123376010) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yloxypentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-propan-2-yloxypentan-1-ol
PubChem CID123376010
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-methyl-3-propan-2-yloxypentan-1-ol
SMILESCCC(C)(CCO)OC(C)C
InChIInChI=1S/C9H20O2/c1-5-9(4,6-7-10)11-8(2)3/h8,10H,5-7H2,1-4H3
InChIKeyLHJCNHDMYULAKE-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxy-3-methylpentan-3-yl) 2-chloropropanoate
CID 118214446
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
1-(3-methylhexan-3-yloxy)ethanol
CID 87753364
5-methyl-5-propan-2-yloxyhexan-1-ol
CID 54256452
3-methylbutane-1,3-diol;octakis(propan-2-ol)
CID 173348529
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
7-methoxy-3,3,7-trimethylnonan-1-ol
CID 88874451
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
2-[1-(3-methylpentan-3-yloxy)ethoxyamino]ethanol
CID 142654324
2-methyl-2-propan-2-yloxy-1-silylbutan-1-one
CID 173236358
3,3,5,5,7-pentamethyloctan-1-ol
CID 121365228
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yloxypentan-1-ol?
The IUPAC name of 3-methyl-3-propan-2-yloxypentan-1-ol (CID 123376010) is 3-methyl-3-propan-2-yloxypentan-1-ol.
What is the SMILES notation for 3-methyl-3-propan-2-yloxypentan-1-ol?
The canonical SMILES for 3-methyl-3-propan-2-yloxypentan-1-ol is CCC(C)(CCO)OC(C)C.
What is the InChIKey of 3-methyl-3-propan-2-yloxypentan-1-ol?
The InChIKey is LHJCNHDMYULAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-9(4,6-7-10)11-8(2)3/h8,10H,5-7H2,1-4H3.
What are the key properties of 3-methyl-3-propan-2-yloxypentan-1-ol?
3-methyl-3-propan-2-yloxypentan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yloxypentan-1-ol is sourced from PubChem (CID 123376010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).