(4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone

C17H26O2 — CID 143286509

IUPAC(4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone
SMILESCCOC1=CC=C(C(=O)C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H26O2/c1-3-13-5-7-14(8-6-13)17(18)15-9-11-16(12-10-15)19-4-2/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyACGYHBOZEXKEKK-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.41
Rot. Bonds5

About (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone

(4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone (PubChem CID 143286509) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone
PubChem CID143286509
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone
SMILESCCOC1=CC=C(C(=O)C2CCC(CC)CC2)CC1
InChIInChI=1S/C17H26O2/c1-3-13-5-7-14(8-6-13)17(18)15-9-11-16(12-10-15)19-4-2/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyACGYHBOZEXKEKK-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone (CID 143286509) is (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone is CCOC1=CC=C(C(=O)C2CCC(CC)CC2)CC1.
What is the InChIKey of (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone?
The InChIKey is ACGYHBOZEXKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-13-5-7-14(8-6-13)17(18)15-9-11-16(12-10-15)19-4-2/h9,11,13-14H,3-8,10,12H2,1-2H3.
What are the key properties of (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone?
(4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone has a molecular weight of 262.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycyclohexa-1,3-dien-1-yl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 143286509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).