2-(3,5,5-trimethylhexylidene)cyclopentan-1-one

C14H24O — CID 139755740

IUPAC2-(3,5,5-trimethylhexylidene)cyclopentan-1-one
SMILESCC(CC=C1CCCC1=O)CC(C)(C)C
InChIInChI=1S/C14H24O/c1-11(10-14(2,3)4)8-9-12-6-5-7-13(12)15/h9,11H,5-8,10H2,1-4H3
InChIKeyNIWXWRKZMFTJFW-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds3

About 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one

2-(3,5,5-trimethylhexylidene)cyclopentan-1-one (PubChem CID 139755740) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3,5,5-trimethylhexylidene)cyclopentan-1-one
PubChem CID139755740
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-(3,5,5-trimethylhexylidene)cyclopentan-1-one
SMILESCC(CC=C1CCCC1=O)CC(C)(C)C
InChIInChI=1S/C14H24O/c1-11(10-14(2,3)4)8-9-12-6-5-7-13(12)15/h9,11H,5-8,10H2,1-4H3
InChIKeyNIWXWRKZMFTJFW-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-methyl-3-(3,5,5-trimethylhexylidene)oxolan-2-one
CID 66762453
2-(6-methylheptylidene)cyclopentan-1-one
CID 139648136
(2E)-2-(2,2-dimethoxyethylidene)cyclopentan-1-one
CID 154707556
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
(2Z)-2-(2-trimethylsilyloxyethylidene)cyclohexan-1-one
CID 177465464
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
2-(3,5,5-trimethylhexyl)cyclopentan-1-one
CID 139755713
methyl (7E)-7-(2-oxocyclopentylidene)heptanoate
CID 12860075
(2E)-2-octylidenecyclohexan-1-one
CID 6441359
2-(trimethylsilylmethylidene)cyclopentan-1-one
CID 72747529
2,2,6,8,8-pentamethylnon-3-ene
CID 140692127

Frequently Asked Questions

What is the IUPAC name of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one?
The IUPAC name of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one (CID 139755740) is 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one.
What is the SMILES notation for 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one?
The canonical SMILES for 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one is CC(CC=C1CCCC1=O)CC(C)(C)C.
What is the InChIKey of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one?
The InChIKey is NIWXWRKZMFTJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(10-14(2,3)4)8-9-12-6-5-7-13(12)15/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one?
2-(3,5,5-trimethylhexylidene)cyclopentan-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,5-trimethylhexylidene)cyclopentan-1-one is sourced from PubChem (CID 139755740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).