2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde

C13H22O — CID 10559741

IUPAC2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde
SMILESC=C1C(C=O)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H22O/c1-9-10(8-14)12(4,5)13(6,7)11(9,2)3/h8,10H,1H2,2-7H3
InChIKeyOLDHLVAFIQLCBJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.45
Rot. Bonds1

About 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde

2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde (PubChem CID 10559741) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde
PubChem CID10559741
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde
SMILESC=C1C(C=O)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H22O/c1-9-10(8-14)12(4,5)13(6,7)11(9,2)3/h8,10H,1H2,2-7H3
InChIKeyOLDHLVAFIQLCBJ-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,8aS)-5,5,8a-trimethyl-2-methylidene-3-oxo-1,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
CID 10263444
(1S,4S)-1,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbaldehyde
CID 134987418
2,2,3,3-tetramethyl-4-methylidenecyclopentan-1-one
CID 126682242
4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174507090
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
3,3,4,4,5,5-hexamethylcyclopentane-1,2-dione
CID 14148814
2-[(2S)-4,4-dimethyl-3-methylidene-5-oxooxolan-2-yl]acetic acid
CID 174162147
2,6,6-trimethylcyclohexa-2,4-diene-1-carbaldehyde
CID 10103330
2,2-dimethyl-3-(3-methylbut-2-enyl)-6-methylidenecyclohexane-1-carbaldehyde
CID 550118
cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde
CID 22797652
2,2,3,3,4,4,5-heptamethylcyclohexan-1-one
CID 90110016
2,2,3-trimethyl-3-nitrocyclopropane-1-carbaldehyde
CID 71438082

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde?
The IUPAC name of 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde (CID 10559741) is 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde.
What is the SMILES notation for 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde?
The canonical SMILES for 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde is C=C1C(C=O)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde?
The InChIKey is OLDHLVAFIQLCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9-10(8-14)12(4,5)13(6,7)11(9,2)3/h8,10H,1H2,2-7H3.
What are the key properties of 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde?
2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde has a molecular weight of 194.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethyl-5-methylidenecyclopentane-1-carbaldehyde is sourced from PubChem (CID 10559741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).