(E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol

C17H30O2 — CID 44782357

IUPAC(E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
SMILESCCOC(C/C(C)=C/CO)C1=C(C)CCCC1(C)C
InChIInChI=1S/C17H30O2/c1-6-19-15(12-13(2)9-11-18)16-14(3)8-7-10-17(16,4)5/h9,15,18H,6-8,10-12H2,1-5H3/b13-9+
InChIKeyATKQIVPLZKEIPK-UKTHLTGXSA-N
MW266.42 g/mol
LogP4.25
Rot. Bonds6

About (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol

(E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol (PubChem CID 44782357) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
PubChem CID44782357
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
SMILESCCOC(C/C(C)=C/CO)C1=C(C)CCCC1(C)C
InChIInChI=1S/C17H30O2/c1-6-19-15(12-13(2)9-11-18)16-14(3)8-7-10-17(16,4)5/h9,15,18H,6-8,10-12H2,1-5H3/b13-9+
InChIKeyATKQIVPLZKEIPK-UKTHLTGXSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
The IUPAC name of (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol (CID 44782357) is (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol.
What is the SMILES notation for (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
The canonical SMILES for (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol is CCOC(C/C(C)=C/CO)C1=C(C)CCCC1(C)C.
What is the InChIKey of (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
The InChIKey is ATKQIVPLZKEIPK-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-19-15(12-13(2)9-11-18)16-14(3)8-7-10-17(16,4)5/h9,15,18H,6-8,10-12H2,1-5H3/b13-9+.
What are the key properties of (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol?
(E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol has a molecular weight of 266.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethoxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol is sourced from PubChem (CID 44782357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).