2-ethyl-2,3,3-trimethylpentane-1,1-diol

C10H22O2 — CID 139918681

IUPAC2-ethyl-2,3,3-trimethylpentane-1,1-diol
SMILESCCC(C)(C)C(C)(CC)C(O)O
InChIInChI=1S/C10H22O2/c1-6-9(3,4)10(5,7-2)8(11)12/h8,11-12H,6-7H2,1-5H3
InChIKeyNYNFARWNGGTXCA-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.15
Rot. Bonds4

About 2-ethyl-2,3,3-trimethylpentane-1,1-diol

2-ethyl-2,3,3-trimethylpentane-1,1-diol (PubChem CID 139918681) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-ethyl-2,3,3-trimethylpentane-1,1-diol.

Molecular Properties

Compound Name2-ethyl-2,3,3-trimethylpentane-1,1-diol
PubChem CID139918681
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-ethyl-2,3,3-trimethylpentane-1,1-diol
SMILESCCC(C)(C)C(C)(CC)C(O)O
InChIInChI=1S/C10H22O2/c1-6-9(3,4)10(5,7-2)8(11)12/h8,11-12H,6-7H2,1-5H3
InChIKeyNYNFARWNGGTXCA-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
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

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CID 162587850
3,4,4-trimethylhexane-2,3-diol
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4-ethyl-3,3,4,5-tetramethylnonane
CID 123665887
2-aminobutan-2-ol;propane
CID 174346487
3-amino-3-methylpentan-2-ol
CID 159077240
1-amino-3,3-dimethylpentane-2,2-diol
CID 87668093
3,3,4,4,5,5-hexamethylheptane
CID 22899431
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
CID 91186540
ethane;2-methylpropane;2,2,3,3-tetramethylpentane
CID 145053606
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
3,3,4,5-tetramethylheptan-4-ol
CID 22899418

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3-trimethylpentane-1,1-diol?
The IUPAC name of 2-ethyl-2,3,3-trimethylpentane-1,1-diol (CID 139918681) is 2-ethyl-2,3,3-trimethylpentane-1,1-diol.
What is the SMILES notation for 2-ethyl-2,3,3-trimethylpentane-1,1-diol?
The canonical SMILES for 2-ethyl-2,3,3-trimethylpentane-1,1-diol is CCC(C)(C)C(C)(CC)C(O)O.
What is the InChIKey of 2-ethyl-2,3,3-trimethylpentane-1,1-diol?
The InChIKey is NYNFARWNGGTXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-9(3,4)10(5,7-2)8(11)12/h8,11-12H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-2,3,3-trimethylpentane-1,1-diol?
2-ethyl-2,3,3-trimethylpentane-1,1-diol has a molecular weight of 174.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3-trimethylpentane-1,1-diol is sourced from PubChem (CID 139918681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).