cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone

C16H26O — CID 106655849

IUPACcycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)C2=CCCCCCC2)C1(C)C
InChIInChI=1S/C16H26O/c1-15(2)14(16(15,3)4)13(17)12-10-8-6-5-7-9-11-12/h10,14H,5-9,11H2,1-4H3
InChIKeyNVWQBDQPSPUPQV-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.52
Rot. Bonds2

About cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone

cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 106655849) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID106655849
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Namecycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)C2=CCCCCCC2)C1(C)C
InChIInChI=1S/C16H26O/c1-15(2)14(16(15,3)4)13(17)12-10-8-6-5-7-9-11-12/h10,14H,5-9,11H2,1-4H3
InChIKeyNVWQBDQPSPUPQV-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176497
azetidin-3-yl(cycloocten-1-yl)methanone
CID 106655454
cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 103449867
cyclohepten-1-yl-(3-methylcyclohexyl)methanone
CID 103450394
cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106651930
cycloocten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652256
cyclohexen-1-yl-(2-methylcyclopentyl)methanone
CID 107176498
cycloheptene-1-carboxamide
CID 22261654
methyl cyclododecene-1-carboxylate
CID 54564642
cyclohexen-1-yl-(3-methylcyclopentyl)methanone
CID 106651922
cycloocten-1-yl(pyrrolidin-2-yl)methanone
CID 106655084

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 106655849) is cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)C2=CCCCCCC2)C1(C)C.
What is the InChIKey of cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is NVWQBDQPSPUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-15(2)14(16(15,3)4)13(17)12-10-8-6-5-7-9-11-12/h10,14H,5-9,11H2,1-4H3.
What are the key properties of cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 234.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 106655849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).