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

C8H16O — CID 12949695

IUPAC2,4,4-trimethylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)C
InChIInChI=1S/C8H16O/c1-6(2)7(9)8(3,4)5/h7,9H,1H2,2-5H3
InChIKeyWDKALHWKBIWSNZ-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds1

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

2,4,4-trimethylpent-1-en-3-ol (PubChem CID 12949695) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,4,4-trimethylpent-1-en-3-ol.

Molecular Properties

Compound Name2,4,4-trimethylpent-1-en-3-ol
PubChem CID12949695
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,4,4-trimethylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)C
InChIInChI=1S/C8H16O/c1-6(2)7(9)8(3,4)5/h7,9H,1H2,2-5H3
InChIKeyWDKALHWKBIWSNZ-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
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

4,4-Dimethyl-2-methylene-1-pentanol
CID 78086
2,2-Dimethyl-5-hexen-3-ol
CID 140556
2,4-Dimethyl-1-penten-3-ol
CID 140606
2,2,4-Trimethylpent-4-en-1-ol
CID 543901
(3S)-2,2-dimethylhex-5-en-3-ol
CID 11018892
5-Methyl-4-methylidenehexan-3-ol
CID 12036610
2,4-Dimethyl-4,5-hexadien-3-ol
CID 12651498
(3R)-2,4-dimethylpent-1-en-3-ol
CID 40561649
2,5-Dimethylhex-1-en-3-ol
CID 267691
2,5,5-Trimethylhepta-1,6-dien-3-ol
CID 130121999
5,5-Dimethyl-4-methylidenehexan-3-ol
CID 12036613
4,4-Dimethyl-3-methylidenepentan-2-ol
CID 13446401

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpent-1-en-3-ol?
The IUPAC name of 2,4,4-trimethylpent-1-en-3-ol (CID 12949695) is 2,4,4-trimethylpent-1-en-3-ol.
What is the SMILES notation for 2,4,4-trimethylpent-1-en-3-ol?
The canonical SMILES for 2,4,4-trimethylpent-1-en-3-ol is C=C(C)C(O)C(C)(C)C.
What is the InChIKey of 2,4,4-trimethylpent-1-en-3-ol?
The InChIKey is WDKALHWKBIWSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)7(9)8(3,4)5/h7,9H,1H2,2-5H3.
What are the key properties of 2,4,4-trimethylpent-1-en-3-ol?
2,4,4-trimethylpent-1-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpent-1-en-3-ol is sourced from PubChem (CID 12949695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).