(4,4-dimethyl-3-propan-2-ylpentoxy)methanol

C11H24O2 — CID 20782675

IUPAC(4,4-dimethyl-3-propan-2-ylpentoxy)methanol
SMILESCC(C)C(CCOCO)C(C)(C)C
InChIInChI=1S/C11H24O2/c1-9(2)10(11(3,4)5)6-7-13-8-12/h9-10,12H,6-8H2,1-5H3
InChIKeyCUEWCNHHRRDCCE-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.66
Rot. Bonds5

About (4,4-dimethyl-3-propan-2-ylpentoxy)methanol

(4,4-dimethyl-3-propan-2-ylpentoxy)methanol (PubChem CID 20782675) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (4,4-dimethyl-3-propan-2-ylpentoxy)methanol.

Molecular Properties

Compound Name(4,4-dimethyl-3-propan-2-ylpentoxy)methanol
PubChem CID20782675
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(4,4-dimethyl-3-propan-2-ylpentoxy)methanol
SMILESCC(C)C(CCOCO)C(C)(C)C
InChIInChI=1S/C11H24O2/c1-9(2)10(11(3,4)5)6-7-13-8-12/h9-10,12H,6-8H2,1-5H3
InChIKeyCUEWCNHHRRDCCE-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-methoxy-3-methylpentan-1-ol
CID 116500263
3,4-ditert-butylhexane-1,6-diol
CID 174460247
[(6S,7R)-7-amino-5,6-diethyl-3,4,4,5,6-pentamethyloctoxy]methanol
CID 89315775
2,2,8,8-tetramethyl-3-propan-2-ylnonane
CID 174911208
2,3-dimethylbutoxymethanol
CID 158248678
(2R,3R)-2-tert-butylbutane-1,3-diol
CID 130875364
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
CID 166008404
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
3-methyl-5-(3-methylbutoxy)pentan-1-ol
CID 175419850
3-(bromomethyl)-2,2,4-trimethylpentane
CID 83142537
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-propan-2-ylpentoxy)methanol?
The IUPAC name of (4,4-dimethyl-3-propan-2-ylpentoxy)methanol (CID 20782675) is (4,4-dimethyl-3-propan-2-ylpentoxy)methanol.
What is the SMILES notation for (4,4-dimethyl-3-propan-2-ylpentoxy)methanol?
The canonical SMILES for (4,4-dimethyl-3-propan-2-ylpentoxy)methanol is CC(C)C(CCOCO)C(C)(C)C.
What is the InChIKey of (4,4-dimethyl-3-propan-2-ylpentoxy)methanol?
The InChIKey is CUEWCNHHRRDCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(2)10(11(3,4)5)6-7-13-8-12/h9-10,12H,6-8H2,1-5H3.
What are the key properties of (4,4-dimethyl-3-propan-2-ylpentoxy)methanol?
(4,4-dimethyl-3-propan-2-ylpentoxy)methanol has a molecular weight of 188.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-propan-2-ylpentoxy)methanol is sourced from PubChem (CID 20782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).