1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one

C19H34O2 — CID 66804444

IUPAC1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one
SMILESCOC1CCC(C(C)(C)C2CCC(CC(C)=O)CC2)CC1
InChIInChI=1S/C19H34O2/c1-14(20)13-15-5-7-16(8-6-15)19(2,3)17-9-11-18(21-4)12-10-17/h15-18H,5-13H2,1-4H3
InChIKeyUKBXTZWFEXECDQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.00
Rot. Bonds5

About 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one

1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one (PubChem CID 66804444) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one
PubChem CID66804444
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one
SMILESCOC1CCC(C(C)(C)C2CCC(CC(C)=O)CC2)CC1
InChIInChI=1S/C19H34O2/c1-14(20)13-15-5-7-16(8-6-15)19(2,3)17-9-11-18(21-4)12-10-17/h15-18H,5-13H2,1-4H3
InChIKeyUKBXTZWFEXECDQ-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Propylcyclohexyl (trans(trans(trans)))-4'-propyl(1,1'-bicyclohexyl)-4-carboxylate
CID 550127
Cyclohexanecarboxylic acid, 4-pentyl-, 4-propylcyclohexyl ester
CID 557716
4-Propylcyclohexyl (trans(trans(trans)))-4'-butyl(1,1'-bicyclohexyl)-4-carboxylate
CID 557581
4-Propylcyclohexyl (trans(trans(trans)))-4'-pentyl(1,1'-bicyclohexyl)-4-carboxylate
CID 20135153
3bcHCaA5cH
CID 71130126
3bcHCaA4cH
CID 169544714
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-pentylcyclohexyl ester
CID 544494
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-pentylcyclohexyl ester
CID 566065
Cyclohexanecarboxylic acid, 4-propyl-, 4-propylcyclohexyl ester
CID 598625
(4aR,4bR,6aR,8S,10aR,10bS,12aS)-8-methoxy-10b,12a-dimethyl-2,3,4a,4b,5,6,6a,7,8,9,10,10a,11,12-tetradecahydro-1H-chrysen-4-one
CID 21578154
4-[2-(4-Hydroxycyclohexyl)propan-2-yl]cyclohexan-1-one
CID 11020973
trans-4-Pentylcyclohexyl trans-4-propylcyclohexanecarboxylate
CID 14817574

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one?
The IUPAC name of 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one (CID 66804444) is 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one?
The canonical SMILES for 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one is COC1CCC(C(C)(C)C2CCC(CC(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one?
The InChIKey is UKBXTZWFEXECDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-14(20)13-15-5-7-16(8-6-15)19(2,3)17-9-11-18(21-4)12-10-17/h15-18H,5-13H2,1-4H3.
What are the key properties of 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one?
1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one has a molecular weight of 294.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one is sourced from PubChem (CID 66804444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).