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

C14H24O — CID 23338027

IUPAC(E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol
SMILESC/C=C/C(O)C1C(C)=C(C)CCC1(C)C
InChIInChI=1S/C14H24O/c1-6-7-12(15)13-11(3)10(2)8-9-14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b7-6+
InChIKeyPSGJAYJYROIVOV-VOTSOKGWSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds2

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

(E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol (PubChem CID 23338027) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol
PubChem CID23338027
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol
SMILESC/C=C/C(O)C1C(C)=C(C)CCC1(C)C
InChIInChI=1S/C14H24O/c1-6-7-12(15)13-11(3)10(2)8-9-14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b7-6+
InChIKeyPSGJAYJYROIVOV-VOTSOKGWSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol?
The IUPAC name of (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol (CID 23338027) is (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol?
The canonical SMILES for (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol is C/C=C/C(O)C1C(C)=C(C)CCC1(C)C.
What is the InChIKey of (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol?
The InChIKey is PSGJAYJYROIVOV-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H24O/c1-6-7-12(15)13-11(3)10(2)8-9-14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b7-6+.
What are the key properties of (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol?
(E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-ol is sourced from PubChem (CID 23338027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).