(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde

C20H36O — CID 143830266

IUPAC(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde
SMILESCCCC1(C)/C(=C\C=O)CCCC(C)C(CC)CCC1C
InChIInChI=1S/C20H36O/c1-6-14-20(5)17(4)11-12-18(7-2)16(3)9-8-10-19(20)13-15-21/h13,15-18H,6-12,14H2,1-5H3/b19-13-
InChIKeyOBNDQPTZJPLPKA-UYRXBGFRSA-N
MW292.51 g/mol
LogP6.18
Rot. Bonds4

About (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde

(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde (PubChem CID 143830266) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde
PubChem CID143830266
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde
SMILESCCCC1(C)/C(=C\C=O)CCCC(C)C(CC)CCC1C
InChIInChI=1S/C20H36O/c1-6-14-20(5)17(4)11-12-18(7-2)16(3)9-8-10-19(20)13-15-21/h13,15-18H,6-12,14H2,1-5H3/b19-13-
InChIKeyOBNDQPTZJPLPKA-UYRXBGFRSA-N
XLogP6.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
2-[(1S,2S,6Z)-1-methyl-2-[(2-methylpropan-2-yl)oxy]-6-(2-oxoethylidene)cyclohexyl]acetaldehyde
CID 134860112
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
2-ethyl-1,5-dimethyl-6-propylidenecyclodecane
CID 123384032
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde
CID 142980424
2,3-dimethyl-2-octylcyclohexan-1-one
CID 66609524
azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane
CID 91282167
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
trans-(2S,3S)-3-ethyl-2-propanoylcyclohexan-1-one
CID 131850892

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde (CID 143830266) is (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde is CCCC1(C)/C(=C\C=O)CCCC(C)C(CC)CCC1C.
What is the InChIKey of (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde?
The InChIKey is OBNDQPTZJPLPKA-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H36O/c1-6-14-20(5)17(4)11-12-18(7-2)16(3)9-8-10-19(20)13-15-21/h13,15-18H,6-12,14H2,1-5H3/b19-13-.
What are the key properties of (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde?
(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde has a molecular weight of 292.51 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde is sourced from PubChem (CID 143830266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).