(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol

C14H24O — CID 134889538

IUPAC(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol
SMILESCCCC/C(O)=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O/c1-5-6-9-12(15)13-11(2)8-7-10-14(13,3)4/h8,15H,5-7,9-10H2,1-4H3/b13-12-
InChIKeyAAKHXLGACBUPMG-SEYXRHQNSA-N
MW208.34 g/mol
LogP4.76
Rot. Bonds3

About (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol

(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol (PubChem CID 134889538) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol.

Molecular Properties

Compound Name(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol
PubChem CID134889538
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol
SMILESCCCC/C(O)=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O/c1-5-6-9-12(15)13-11(2)8-7-10-14(13,3)4/h8,15H,5-7,9-10H2,1-4H3/b13-12-
InChIKeyAAKHXLGACBUPMG-SEYXRHQNSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol?
The IUPAC name of (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol (CID 134889538) is (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol.
What is the SMILES notation for (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol?
The canonical SMILES for (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol is CCCC/C(O)=C1\C(C)=CCCC1(C)C.
What is the InChIKey of (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol?
The InChIKey is AAKHXLGACBUPMG-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H24O/c1-5-6-9-12(15)13-11(2)8-7-10-14(13,3)4/h8,15H,5-7,9-10H2,1-4H3/b13-12-.
What are the key properties of (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol?
(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol is sourced from PubChem (CID 134889538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).