6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde

C18H34O — CID 163550704

IUPAC6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde
SMILESCCCCCC1(C)C(C)C(C)C(C)C(CC)C1C=O
InChIInChI=1S/C18H34O/c1-7-9-10-11-18(6)15(5)13(3)14(4)16(8-2)17(18)12-19/h12-17H,7-11H2,1-6H3
InChIKeyFIURVNLTWWWZJX-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.34
Rot. Bonds6

About 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde

6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde (PubChem CID 163550704) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde
PubChem CID163550704
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde
SMILESCCCCCC1(C)C(C)C(C)C(C)C(CC)C1C=O
InChIInChI=1S/C18H34O/c1-7-9-10-11-18(6)15(5)13(3)14(4)16(8-2)17(18)12-19/h12-17H,7-11H2,1-6H3
InChIKeyFIURVNLTWWWZJX-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
CID 163618137
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-dimethyl-3-pentylcyclopropane
CID 524654
butanoic acid;trans-(1R,3R)-2,2,3-trimethylcyclopropane-1-carbaldehyde
CID 159504424
butyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 23073779
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-ethyl-1-hexyl-2,3-dimethylcyclopropane
CID 123758014
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
2-ethyl-3-methyl-2-pentyloxirane
CID 154091449
(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane
CID 163488564
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde?
The IUPAC name of 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde (CID 163550704) is 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde?
The canonical SMILES for 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde is CCCCCC1(C)C(C)C(C)C(C)C(CC)C1C=O.
What is the InChIKey of 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde?
The InChIKey is FIURVNLTWWWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-7-9-10-11-18(6)15(5)13(3)14(4)16(8-2)17(18)12-19/h12-17H,7-11H2,1-6H3.
What are the key properties of 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde?
6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde has a molecular weight of 266.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,4,5-tetramethyl-2-pentylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 163550704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).