(3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol

C15H24O — CID 11736152

IUPAC(3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol
SMILESC=C(C)/C=C(\CC)C(C)(O)C1=CCCCC1
InChIInChI=1S/C15H24O/c1-5-13(11-12(2)3)15(4,16)14-9-7-6-8-10-14/h9,11,16H,2,5-8,10H2,1,3-4H3/b13-11+
InChIKeyLHZPFTQTNNVXPE-ACCUITESSA-N
MW220.36 g/mol
LogP4.15
Rot. Bonds4

About (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol

(3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol (PubChem CID 11736152) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol
PubChem CID11736152
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol
SMILESC=C(C)/C=C(\CC)C(C)(O)C1=CCCCC1
InChIInChI=1S/C15H24O/c1-5-13(11-12(2)3)15(4,16)14-9-7-6-8-10-14/h9,11,16H,2,5-8,10H2,1,3-4H3/b13-11+
InChIKeyLHZPFTQTNNVXPE-ACCUITESSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol?
The IUPAC name of (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol (CID 11736152) is (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol is C=C(C)/C=C(\CC)C(C)(O)C1=CCCCC1.
What is the InChIKey of (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol?
The InChIKey is LHZPFTQTNNVXPE-ACCUITESSA-N. The full InChI is InChI=1S/C15H24O/c1-5-13(11-12(2)3)15(4,16)14-9-7-6-8-10-14/h9,11,16H,2,5-8,10H2,1,3-4H3/b13-11+.
What are the key properties of (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol?
(3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol has a molecular weight of 220.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(cyclohexen-1-yl)-3-ethyl-5-methylhexa-3,5-dien-2-ol is sourced from PubChem (CID 11736152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).