cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone

C16H26O2 — CID 106652285

IUPACcyclohexen-1-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCC2)CCCCCC1
InChIInChI=1S/C16H26O2/c1-2-18-16(12-8-3-4-9-13-16)15(17)14-10-6-5-7-11-14/h10H,2-9,11-13H2,1H3
InChIKeyIQXKCGANARAQSH-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.19
Rot. Bonds4

About cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone

cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone (PubChem CID 106652285) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(1-ethoxycycloheptyl)methanone
PubChem CID106652285
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namecyclohexen-1-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCC2)CCCCCC1
InChIInChI=1S/C16H26O2/c1-2-18-16(12-8-3-4-9-13-16)15(17)14-10-6-5-7-11-14/h10H,2-9,11-13H2,1H3
InChIKeyIQXKCGANARAQSH-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone 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

5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878
(3R,4R,4aR)-3-methoxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 10060589
2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
CID 56590259
2-Dodecyl-5-(2-methoxyethyl)-2-methyluran-3-one
CID 162938508
5-Methoxy-2-methyl-3-(9,11,13,15-tetramethylheptadecyl)cyclohexa-2,5-diene-1,4-dione
CID 71434663
Ethyl (4-ethoxalyl-4-vinyl-1-cyclohexenyl)oxo-acetate
CID 12129274
1-(1-Cyclohexenyl)-2-ethoxyprop-2-en-1-one
CID 24975460
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneoctan-1-one
CID 25223925
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneundecan-1-one
CID 135078290
2-(7-t-Butoxy-heptyl)-5-methoxy-cyclopent-2-enone
CID 545472

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone?
The IUPAC name of cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone (CID 106652285) is cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone is CCOC1(C(=O)C2=CCCCC2)CCCCCC1.
What is the InChIKey of cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone?
The InChIKey is IQXKCGANARAQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-18-16(12-8-3-4-9-13-16)15(17)14-10-6-5-7-11-14/h10H,2-9,11-13H2,1H3.
What are the key properties of cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone?
cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone has a molecular weight of 250.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(1-ethoxycycloheptyl)methanone is sourced from PubChem (CID 106652285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).