3-ethyl-4,4-dimethylpent-1-en-3-ol

C9H18O — CID 91529318

IUPAC3-ethyl-4,4-dimethylpent-1-en-3-ol
SMILESC=CC(O)(CC)C(C)(C)C
InChIInChI=1S/C9H18O/c1-6-9(10,7-2)8(3,4)5/h6,10H,1,7H2,2-5H3
InChIKeyBARPXXRAXUFBBC-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds2

About 3-ethyl-4,4-dimethylpent-1-en-3-ol

3-ethyl-4,4-dimethylpent-1-en-3-ol (PubChem CID 91529318) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name3-ethyl-4,4-dimethylpent-1-en-3-ol
PubChem CID91529318
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-ethyl-4,4-dimethylpent-1-en-3-ol
SMILESC=CC(O)(CC)C(C)(C)C
InChIInChI=1S/C9H18O/c1-6-9(10,7-2)8(3,4)5/h6,10H,1,7H2,2-5H3
InChIKeyBARPXXRAXUFBBC-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
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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Related Compounds

3,4,4-Trimethyl-1-penten-3-ol
CID 138029
3-Tert-butyl-2,2,4-trimethylhex-5-en-3-ol
CID 10888893
2,4,4-Trimethyl-3-methylidenehex-5-en-2-ol
CID 162932178
4-Vinylheptan-4-ol
CID 12307694
3-Isopropyl-4-methyl-1-penten-3-ol
CID 13842650
3-Tert-butyl-2,2-dimethylhex-5-en-3-ol
CID 11789902
(3S,4S)-3-fluoro-4,5,5-trimethylhex-1-en-3-ol
CID 126590913
(3S,4R)-3-fluoro-4,5,5-trimethylhex-1-en-3-ol
CID 126590914
(4S)-3-fluoro-4,5,5-trimethylhex-1-en-3-ol
CID 138517461
(4R)-3-fluoro-4,5,5-trimethylhex-1-en-3-ol
CID 139548437
3-Tert-butyl-4,4-dimethylpent-1-en-3-ol
CID 21586762
2,2,3-Trimethylhexa-4,5-dien-3-ol
CID 10773071

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-dimethylpent-1-en-3-ol?
The IUPAC name of 3-ethyl-4,4-dimethylpent-1-en-3-ol (CID 91529318) is 3-ethyl-4,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for 3-ethyl-4,4-dimethylpent-1-en-3-ol?
The canonical SMILES for 3-ethyl-4,4-dimethylpent-1-en-3-ol is C=CC(O)(CC)C(C)(C)C.
What is the InChIKey of 3-ethyl-4,4-dimethylpent-1-en-3-ol?
The InChIKey is BARPXXRAXUFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-9(10,7-2)8(3,4)5/h6,10H,1,7H2,2-5H3.
What are the key properties of 3-ethyl-4,4-dimethylpent-1-en-3-ol?
3-ethyl-4,4-dimethylpent-1-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 91529318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).