(2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal

C15H24O — CID 163086785

IUPAC(2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal
SMILESC=C(C)/C=C/C(CC/C(C)=C\C=O)C(C)C
InChIInChI=1S/C15H24O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h6,8,10-11,13,15H,1,7,9H2,2-5H3/b8-6+,14-10-
InChIKeyLDDQLEVDKNBZLM-UZCZQPMLSA-N
MW220.36 g/mol
LogP4.32
Rot. Bonds7

About (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal

(2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal (PubChem CID 163086785) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal.

Molecular Properties

Compound Name(2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal
PubChem CID163086785
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal
SMILESC=C(C)/C=C/C(CC/C(C)=C\C=O)C(C)C
InChIInChI=1S/C15H24O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h6,8,10-11,13,15H,1,7,9H2,2-5H3/b8-6+,14-10-
InChIKeyLDDQLEVDKNBZLM-UZCZQPMLSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.32
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
CID 54173872
[(3R,4E)-6-methyl-3-propan-2-ylhepta-4,6-dienyl] acetate
CID 45141058
3,8-dimethylnon-2-enal
CID 91613839
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
(2Z,6E)-3,6-dimethylocta-2,6-dienal
CID 124647728
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(Z,5R)-5-propan-2-yloct-6-en-2-one
CID 166881675
methyl (2S,3R,4E)-3-(3-hydroxypropyl)-2,6-dimethylhepta-4,6-dienoate
CID 15491388
(E,7S,10R)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid
CID 156583024
(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
CID 142155642
8-hydroxy-5-propan-2-ylnon-6-en-2-one
CID 54079957

Frequently Asked Questions

What is the IUPAC name of (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal?
The IUPAC name of (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal (CID 163086785) is (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal.
What is the SMILES notation for (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal?
The canonical SMILES for (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal is C=C(C)/C=C/C(CC/C(C)=C\C=O)C(C)C.
What is the InChIKey of (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal?
The InChIKey is LDDQLEVDKNBZLM-UZCZQPMLSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h6,8,10-11,13,15H,1,7,9H2,2-5H3/b8-6+,14-10-.
What are the key properties of (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal?
(2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal has a molecular weight of 220.36 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6R,7E)-3,9-dimethyl-6-propan-2-yldeca-2,7,9-trienal is sourced from PubChem (CID 163086785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).