(2R)-2-methyl-5-methylideneheptanal

C9H16O — CID 10240896

IUPAC(2R)-2-methyl-5-methylideneheptanal
SMILESC=C(CC)CCC(C)C=O
InChIInChI=1S/C9H16O/c1-4-8(2)5-6-9(3)7-10/h7,9H,2,4-6H2,1,3H3
InChIKeyXGSCHOJSMVZHNU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.57
Rot. Bonds5

About (2R)-2-methyl-5-methylideneheptanal

(2R)-2-methyl-5-methylideneheptanal (PubChem CID 10240896) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R)-2-methyl-5-methylideneheptanal.

Molecular Properties

Compound Name(2R)-2-methyl-5-methylideneheptanal
PubChem CID10240896
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R)-2-methyl-5-methylideneheptanal
SMILESC=C(CC)CCC(C)C=O
InChIInChI=1S/C9H16O/c1-4-8(2)5-6-9(3)7-10/h7,9H,2,4-6H2,1,3H3
InChIKeyXGSCHOJSMVZHNU-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.57
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-methyl-5-oxooctanal
CID 155026119
(2S)-2,6-dimethyl-5-oxoheptanal
CID 10511104
2,5-dimethylhept-6-enal
CID 88788284
potassium;hydride;2-methylpentanal
CID 173401246
3-chloro-2-methyl-7-methylidenenonane
CID 66036904
(4S)-N-iodo-N,4-dimethyl-5-oxopentanamide
CID 137393180
(E)-2-methyl-5,8-dioxonon-6-enal
CID 58435612
3,6,11-trimethyl-9-methylidenedodec-4-ene
CID 123241851
2-methyl-6-oxoheptanal
CID 14561323
3-ethyl-2-methyl-6-methylideneoct-1-ene
CID 144692638
2-methylpentanal;propanal
CID 23460116
6-ethyl-2-methyl-5-oxodecanal
CID 170308949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-methylideneheptanal?
The IUPAC name of (2R)-2-methyl-5-methylideneheptanal (CID 10240896) is (2R)-2-methyl-5-methylideneheptanal.
What is the SMILES notation for (2R)-2-methyl-5-methylideneheptanal?
The canonical SMILES for (2R)-2-methyl-5-methylideneheptanal is C=C(CC)CCC(C)C=O.
What is the InChIKey of (2R)-2-methyl-5-methylideneheptanal?
The InChIKey is XGSCHOJSMVZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-8(2)5-6-9(3)7-10/h7,9H,2,4-6H2,1,3H3.
What are the key properties of (2R)-2-methyl-5-methylideneheptanal?
(2R)-2-methyl-5-methylideneheptanal has a molecular weight of 140.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-methylideneheptanal is sourced from PubChem (CID 10240896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).