1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol

C15H32O2 — CID 123209317

IUPAC1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol
SMILESCCC(C)C(C)(C)OC(O)C(C)(C)CC(C)C
InChIInChI=1S/C15H32O2/c1-9-12(4)15(7,8)17-13(16)14(5,6)10-11(2)3/h11-13,16H,9-10H2,1-8H3
InChIKeyYBXTWCIMZAWLDB-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.22
Rot. Bonds7

About 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol

1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol (PubChem CID 123209317) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol
PubChem CID123209317
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol
SMILESCCC(C)C(C)(C)OC(O)C(C)(C)CC(C)C
InChIInChI=1S/C15H32O2/c1-9-12(4)15(7,8)17-13(16)14(5,6)10-11(2)3/h11-13,16H,9-10H2,1-8H3
InChIKeyYBXTWCIMZAWLDB-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,4,5,6-pentamethyloctane
CID 57491109
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
CID 142712435
2,3-dimethylpentan-2-yloxyboronic acid
CID 54520879
2,3-dimethylpentan-2-yl hypofluorite
CID 140594719
1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
CID 126671106
3,5-dimethyl-3-propylhexan-2-ol
CID 20501854
2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane
CID 91095742
2,4,4,6-tetramethyl-5-propyloctane
CID 123721040
2-methylpropan-1-ol;2,2,4-trimethylpentane-1,1-diol
CID 172688938
O-(3,3,5-trimethylhexan-2-yl)hydroxylamine
CID 59956878
(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
CID 170849873
2,4,7,8-tetramethyldec-5-yne-4,7-diol
CID 22761481

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol?
The IUPAC name of 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol (CID 123209317) is 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol?
The canonical SMILES for 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol is CCC(C)C(C)(C)OC(O)C(C)(C)CC(C)C.
What is the InChIKey of 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol?
The InChIKey is YBXTWCIMZAWLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-9-12(4)15(7,8)17-13(16)14(5,6)10-11(2)3/h11-13,16H,9-10H2,1-8H3.
What are the key properties of 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol?
1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol is sourced from PubChem (CID 123209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).