cycloocten-1-yl-(1-methoxycyclohexyl)methanone

C16H26O2 — CID 106652256

IUPACcycloocten-1-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCCCC1
InChIInChI=1S/C16H26O2/c1-18-16(12-8-5-9-13-16)15(17)14-10-6-3-2-4-7-11-14/h10H,2-9,11-13H2,1H3
InChIKeyGBHWORSFFVSKFP-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.19
Rot. Bonds3

About cycloocten-1-yl-(1-methoxycyclohexyl)methanone

cycloocten-1-yl-(1-methoxycyclohexyl)methanone (PubChem CID 106652256) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is cycloocten-1-yl-(1-methoxycyclohexyl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(1-methoxycyclohexyl)methanone
PubChem CID106652256
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namecycloocten-1-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCCCC1
InChIInChI=1S/C16H26O2/c1-18-16(12-8-5-9-13-16)15(17)14-10-6-3-2-4-7-11-14/h10H,2-9,11-13H2,1H3
InChIKeyGBHWORSFFVSKFP-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
CID 106652262
cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
CID 106652265
methyl cyclododecene-1-carboxylate
CID 54564642
cyclohexen-1-yl-(1-hydroxycyclopentyl)methanone
CID 106652335
cyclohexen-1-yl-[1-(dimethylamino)cyclopentyl]methanone
CID 106652002
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 106655318
cycloocten-1-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 106652005
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl cycloundecene-1-carboxylate
CID 154164177

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(1-methoxycyclohexyl)methanone?
The IUPAC name of cycloocten-1-yl-(1-methoxycyclohexyl)methanone (CID 106652256) is cycloocten-1-yl-(1-methoxycyclohexyl)methanone.
What is the SMILES notation for cycloocten-1-yl-(1-methoxycyclohexyl)methanone?
The canonical SMILES for cycloocten-1-yl-(1-methoxycyclohexyl)methanone is COC1(C(=O)C2=CCCCCCC2)CCCCC1.
What is the InChIKey of cycloocten-1-yl-(1-methoxycyclohexyl)methanone?
The InChIKey is GBHWORSFFVSKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-18-16(12-8-5-9-13-16)15(17)14-10-6-3-2-4-7-11-14/h10H,2-9,11-13H2,1H3.
What are the key properties of cycloocten-1-yl-(1-methoxycyclohexyl)methanone?
cycloocten-1-yl-(1-methoxycyclohexyl)methanone has a molecular weight of 250.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(1-methoxycyclohexyl)methanone is sourced from PubChem (CID 106652256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).