acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one

C14H30O2 — CID 143490396

IUPACacetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
SMILESCC(C)=O.CC=O.CCC1(CC)CCCC1.[H][H]
InChIInChI=1S/C9H18.C3H6O.C2H4O.H2/c1-3-9(4-2)7-5-6-8-9;1-3(2)4;1-2-3;/h3-8H2,1-2H3;1-2H3;2H,1H3;1H
InChIKeyMBYCZRPZBPKZTN-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.41
Rot. Bonds2

About acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one

acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one (PubChem CID 143490396) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one.

Molecular Properties

Compound Nameacetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
PubChem CID143490396
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Nameacetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
SMILESCC(C)=O.CC=O.CCC1(CC)CCCC1.[H][H]
InChIInChI=1S/C9H18.C3H6O.C2H4O.H2/c1-3-9(4-2)7-5-6-8-9;1-3(2)4;1-2-3;/h3-8H2,1-2H3;1-2H3;2H,1H3;1H
InChIKeyMBYCZRPZBPKZTN-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethylcyclohexane;ethane
CID 142116480
2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222
1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one
CID 144910534
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
(1-ethylcycloheptyl)methanol
CID 56982411
(1-ethylcyclobutyl)methyl carbamate
CID 59266818
1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103741057
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
acetaldehyde;methane;propan-2-one
CID 159068439
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119782138
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one?
The IUPAC name of acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one (CID 143490396) is acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one.
What is the SMILES notation for acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one?
The canonical SMILES for acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one is CC(C)=O.CC=O.CCC1(CC)CCCC1.[H][H].
What is the InChIKey of acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one?
The InChIKey is MBYCZRPZBPKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C3H6O.C2H4O.H2/c1-3-9(4-2)7-5-6-8-9;1-3(2)4;1-2-3;/h3-8H2,1-2H3;1-2H3;2H,1H3;1H.
What are the key properties of acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one?
acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one has a molecular weight of 230.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one is sourced from PubChem (CID 143490396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).