2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

C26H44O2 — CID 88678851

IUPAC2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)C1CC=C(C=O)CC1.CCCCCCCC=C(C=O)CCCCCC
InChIInChI=1S/C16H30O.C10H14O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;1-8(2)10-5-3-9(7-11)4-6-10/h14-15H,3-13H2,1-2H3;3,7,10H,1,4-6H2,2H3
InChIKeyBNONNVCRADFXHM-UHFFFAOYSA-N
MW388.64 g/mol
LogP7.93
Rot. Bonds14

About 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde (PubChem CID 88678851) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
PubChem CID88678851
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)C1CC=C(C=O)CC1.CCCCCCCC=C(C=O)CCCCCC
InChIInChI=1S/C16H30O.C10H14O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;1-8(2)10-5-3-9(7-11)4-6-10/h14-15H,3-13H2,1-2H3;3,7,10H,1,4-6H2,2H3
InChIKeyBNONNVCRADFXHM-UHFFFAOYSA-N
XLogP7.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The IUPAC name of 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde (CID 88678851) is 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The canonical SMILES for 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde is C=C(C)C1CC=C(C=O)CC1.CCCCCCCC=C(C=O)CCCCCC.
What is the InChIKey of 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The InChIKey is BNONNVCRADFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O.C10H14O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;1-8(2)10-5-3-9(7-11)4-6-10/h14-15H,3-13H2,1-2H3;3,7,10H,1,4-6H2,2H3.
What are the key properties of 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde has a molecular weight of 388.64 g/mol, XLogP of 7.93, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldec-2-enal;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 88678851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).