4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol

C14H24O — CID 54186290

IUPAC4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol
SMILESCC1=CCC(C)C(C)(C)C1C=CC(C)O
InChIInChI=1S/C14H24O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11-13,15H,7H2,1-5H3
InChIKeyPFILOLZEZPNYSG-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.55
Rot. Bonds2

About 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol

4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol (PubChem CID 54186290) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol.

Molecular Properties

Compound Name4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol
PubChem CID54186290
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol
SMILESCC1=CCC(C)C(C)(C)C1C=CC(C)O
InChIInChI=1S/C14H24O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11-13,15H,7H2,1-5H3
InChIKeyPFILOLZEZPNYSG-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.55
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

6-[(E)-but-1-enyl]-1,4,5,5-tetramethylcyclohexene
CID 170315816
3-methyl-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
CID 57323826
7-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hept-4-en-2-ol
CID 70365940
(1R,2S,3S,5R)-3-[(E,3R)-3-hydroxybut-1-enyl]-2,4,4,5-tetramethylcyclohexan-1-ol
CID 11160488
1,4,5,5-tetramethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 175976636
2-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]cyclohexen-1-yl]propanal
CID 91306463
methyl (5S)-2,5,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 11481009
(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol
CID 125183462
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 21388154
6-(3-methoxybut-1-enyl)-1,5,5-trimethylcyclohexene
CID 54139758
(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
CID 91033797
6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane
CID 70502775

Frequently Asked Questions

What is the IUPAC name of 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol?
The IUPAC name of 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol (CID 54186290) is 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol.
What is the SMILES notation for 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol?
The canonical SMILES for 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol is CC1=CCC(C)C(C)(C)C1C=CC(C)O.
What is the InChIKey of 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol?
The InChIKey is PFILOLZEZPNYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11-13,15H,7H2,1-5H3.
What are the key properties of 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol?
4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol is sourced from PubChem (CID 54186290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).