1-(4-propylcyclohexyl)pent-4-yn-1-one

C14H22O — CID 65424447

IUPAC1-(4-propylcyclohexyl)pent-4-yn-1-one
SMILESC#CCCC(=O)C1CCC(CCC)CC1
InChIInChI=1S/C14H22O/c1-3-5-7-14(15)13-10-8-12(6-4-2)9-11-13/h1,12-13H,4-11H2,2H3
InChIKeyRIGVTNBGTQYZQR-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-propylcyclohexyl)pent-4-yn-1-one

1-(4-propylcyclohexyl)pent-4-yn-1-one (PubChem CID 65424447) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)pent-4-yn-1-one.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)pent-4-yn-1-one
PubChem CID65424447
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(4-propylcyclohexyl)pent-4-yn-1-one
SMILESC#CCCC(=O)C1CCC(CCC)CC1
InChIInChI=1S/C14H22O/c1-3-5-7-14(15)13-10-8-12(6-4-2)9-11-13/h1,12-13H,4-11H2,2H3
InChIKeyRIGVTNBGTQYZQR-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-propylcyclohexyl)pent-4-yn-1-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

1-(4-propylcyclohexyl)decan-1-one
CID 65424252
3-chloro-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-1-one
CID 175787154
1-[4-(trifluoromethyl)cyclohexyl]pent-4-yn-1-one
CID 105100780
1-cycloheptylpent-4-yn-1-one
CID 65398839
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
CID 65425226
N-but-3-ynyl-4-propylcyclohexan-1-amine
CID 63656858
1-cyclopropylhex-4-yn-1-one
CID 63351582
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)pent-4-yn-1-one?
The IUPAC name of 1-(4-propylcyclohexyl)pent-4-yn-1-one (CID 65424447) is 1-(4-propylcyclohexyl)pent-4-yn-1-one.
What is the SMILES notation for 1-(4-propylcyclohexyl)pent-4-yn-1-one?
The canonical SMILES for 1-(4-propylcyclohexyl)pent-4-yn-1-one is C#CCCC(=O)C1CCC(CCC)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)pent-4-yn-1-one?
The InChIKey is RIGVTNBGTQYZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-7-14(15)13-10-8-12(6-4-2)9-11-13/h1,12-13H,4-11H2,2H3.
What are the key properties of 1-(4-propylcyclohexyl)pent-4-yn-1-one?
1-(4-propylcyclohexyl)pent-4-yn-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)pent-4-yn-1-one is sourced from PubChem (CID 65424447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).