3,7-dimethyl-5-methylideneoctanal

C11H20O — CID 164909395

IUPAC3,7-dimethyl-5-methylideneoctanal
SMILESC=C(CC(C)C)CC(C)CC=O
InChIInChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyUPXWEAYCGYWQRV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.20
Rot. Bonds6

About 3,7-dimethyl-5-methylideneoctanal

3,7-dimethyl-5-methylideneoctanal (PubChem CID 164909395) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,7-dimethyl-5-methylideneoctanal.

Molecular Properties

Compound Name3,7-dimethyl-5-methylideneoctanal
PubChem CID164909395
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,7-dimethyl-5-methylideneoctanal
SMILESC=C(CC(C)C)CC(C)CC=O
InChIInChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyUPXWEAYCGYWQRV-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.20
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

2,6-dimethyl-4-methylideneoctane
CID 12567282
3,7,11-trimethyldodecanal
CID 14420009
acetyl 3-methyl-5-oxopentanoate
CID 21187397
3,7-dimethyl-5-(2-methylpropyl)oct-4-enal
CID 164909441
3-amino-5,7-dimethyl-9-methylidenedodecanal
CID 134332421
4-methyl-2-methylidenepentan-1-amine
CID 55284045
potassium;hydride;3-methylbutanal
CID 173363476
5-hydroxy-3,6-dimethylheptanal
CID 91437635
3-methyl-4-[4-(2-methyl-4-oxobutyl)phenyl]butanal
CID 164676531
(3S)-3-methylhexanedial
CID 129384452
(3S)-4-(dimethylamino)-3-methylbutanal
CID 174590947
N-(4-methyl-2-methylidenepentyl)prop-2-enamide
CID 57407652

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-methylideneoctanal?
The IUPAC name of 3,7-dimethyl-5-methylideneoctanal (CID 164909395) is 3,7-dimethyl-5-methylideneoctanal.
What is the SMILES notation for 3,7-dimethyl-5-methylideneoctanal?
The canonical SMILES for 3,7-dimethyl-5-methylideneoctanal is C=C(CC(C)C)CC(C)CC=O.
What is the InChIKey of 3,7-dimethyl-5-methylideneoctanal?
The InChIKey is UPXWEAYCGYWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)7-11(4)8-10(3)5-6-12/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 3,7-dimethyl-5-methylideneoctanal?
3,7-dimethyl-5-methylideneoctanal has a molecular weight of 168.28 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-methylideneoctanal is sourced from PubChem (CID 164909395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).