(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal

C14H26O — CID 153352209

IUPAC(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal
SMILESCC(C)=CCC[C@@](C)(CC=O)CC(C)C
InChIInChI=1S/C14H26O/c1-12(2)7-6-8-14(5,9-10-15)11-13(3)4/h7,10,13H,6,8-9,11H2,1-5H3/t14-/m0/s1
InChIKeyBAOOZXKUWYOLRP-AWEZNQCLSA-N
MW210.36 g/mol
LogP4.37
Rot. Bonds7

About (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal

(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal (PubChem CID 153352209) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal.

Molecular Properties

Compound Name(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal
PubChem CID153352209
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal
SMILESCC(C)=CCC[C@@](C)(CC=O)CC(C)C
InChIInChI=1S/C14H26O/c1-12(2)7-6-8-14(5,9-10-15)11-13(3)4/h7,10,13H,6,8-9,11H2,1-5H3/t14-/m0/s1
InChIKeyBAOOZXKUWYOLRP-AWEZNQCLSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-butyl-3,7-dimethyloct-6-enal
CID 132528865
(3S)-3-amino-3,7-dimethyloct-6-enal
CID 147415648
4,4,8-trimethylnon-7-enal
CID 121006941
2-(3,7-dimethyl-1-oxooct-6-en-3-yl)sulfanylacetic acid
CID 118437193
(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
2,6,6-trimethyl-7-nitrosooct-2-ene
CID 123195105
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial
CID 10823036
2,4,4,7-tetramethyloct-6-enal
CID 88919833
7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306696
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485

Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal?
The IUPAC name of (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal (CID 153352209) is (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal.
What is the SMILES notation for (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal?
The canonical SMILES for (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal is CC(C)=CCC[C@@](C)(CC=O)CC(C)C.
What is the InChIKey of (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal?
The InChIKey is BAOOZXKUWYOLRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26O/c1-12(2)7-6-8-14(5,9-10-15)11-13(3)4/h7,10,13H,6,8-9,11H2,1-5H3/t14-/m0/s1.
What are the key properties of (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal?
(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal has a molecular weight of 210.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal is sourced from PubChem (CID 153352209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).