3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol

C10H18O — CID 130125540

IUPAC3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCC=C1C(C)(C)C(O)C1(C)C
InChIInChI=1S/C10H18O/c1-6-7-9(2,3)8(11)10(7,4)5/h6,8,11H,1-5H3/b7-6-
InChIKeyTZKJFSJPSDJUQW-SREVYHEPSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds

About 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol

3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol (PubChem CID 130125540) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol
PubChem CID130125540
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol
SMILESCC=C1C(C)(C)C(O)C1(C)C
InChIInChI=1S/C10H18O/c1-6-7-9(2,3)8(11)10(7,4)5/h6,8,11H,1-5H3/b7-6-
InChIKeyTZKJFSJPSDJUQW-SREVYHEPSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol?
The IUPAC name of 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol (CID 130125540) is 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol.
What is the SMILES notation for 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol?
The canonical SMILES for 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol is CC=C1C(C)(C)C(O)C1(C)C.
What is the InChIKey of 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol?
The InChIKey is TZKJFSJPSDJUQW-SREVYHEPSA-N. The full InChI is InChI=1S/C10H18O/c1-6-7-9(2,3)8(11)10(7,4)5/h6,8,11H,1-5H3/b7-6-.
What are the key properties of 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol?
3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-2,2,4,4-tetramethylcyclobutan-1-ol is sourced from PubChem (CID 130125540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).