3,3,4,4-tetramethylpent-1-en-2-ol

C9H18O — CID 89381848

IUPAC3,3,4,4-tetramethylpent-1-en-2-ol
SMILESC=C(O)C(C)(C)C(C)(C)C
InChIInChI=1S/C9H18O/c1-7(10)9(5,6)8(2,3)4/h10H,1H2,2-6H3
InChIKeyLRFIMMPEFBNAPH-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.13
Rot. Bonds1

About 3,3,4,4-tetramethylpent-1-en-2-ol

3,3,4,4-tetramethylpent-1-en-2-ol (PubChem CID 89381848) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3,4,4-tetramethylpent-1-en-2-ol.

Molecular Properties

Compound Name3,3,4,4-tetramethylpent-1-en-2-ol
PubChem CID89381848
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3,4,4-tetramethylpent-1-en-2-ol
SMILESC=C(O)C(C)(C)C(C)(C)C
InChIInChI=1S/C9H18O/c1-7(10)9(5,6)8(2,3)4/h10H,1H2,2-6H3
InChIKeyLRFIMMPEFBNAPH-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethylpent-1-en-2-ol?
The IUPAC name of 3,3,4,4-tetramethylpent-1-en-2-ol (CID 89381848) is 3,3,4,4-tetramethylpent-1-en-2-ol.
What is the SMILES notation for 3,3,4,4-tetramethylpent-1-en-2-ol?
The canonical SMILES for 3,3,4,4-tetramethylpent-1-en-2-ol is C=C(O)C(C)(C)C(C)(C)C.
What is the InChIKey of 3,3,4,4-tetramethylpent-1-en-2-ol?
The InChIKey is LRFIMMPEFBNAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(10)9(5,6)8(2,3)4/h10H,1H2,2-6H3.
What are the key properties of 3,3,4,4-tetramethylpent-1-en-2-ol?
3,3,4,4-tetramethylpent-1-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethylpent-1-en-2-ol is sourced from PubChem (CID 89381848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).