3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol

C16H24O — CID 101413425

IUPAC3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
SMILESC=C(C)C(C)(C)C(C)(O)CCc1ccccc1
InChIInChI=1S/C16H24O/c1-13(2)15(3,4)16(5,17)12-11-14-9-7-6-8-10-14/h6-10,17H,1,11-12H2,2-5H3
InChIKeyKPZHJBWREPMENW-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.97
Rot. Bonds5

About 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol

3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol (PubChem CID 101413425) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
PubChem CID101413425
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
SMILESC=C(C)C(C)(C)C(C)(O)CCc1ccccc1
InChIInChI=1S/C16H24O/c1-13(2)15(3,4)16(5,17)12-11-14-9-7-6-8-10-14/h6-10,17H,1,11-12H2,2-5H3
InChIKeyKPZHJBWREPMENW-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.97
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

ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
CID 62398393
(2R,3R)-3-methyl-5-phenyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 146167567
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3,3,4-trimethyl-2-phenylpent-4-en-2-ol
CID 101413424
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
CID 142171230
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
2-amino-1,4-diphenylbutan-2-ol
CID 67531215
2-methyl-6-phenylhexan-2-ol
CID 12716611

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol?
The IUPAC name of 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol (CID 101413425) is 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol.
What is the SMILES notation for 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol?
The canonical SMILES for 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol is C=C(C)C(C)(C)C(C)(O)CCc1ccccc1.
What is the InChIKey of 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol?
The InChIKey is KPZHJBWREPMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-13(2)15(3,4)16(5,17)12-11-14-9-7-6-8-10-14/h6-10,17H,1,11-12H2,2-5H3.
What are the key properties of 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol?
3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol has a molecular weight of 232.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 101413425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).