6-methyl-5-methylideneoctanal

C10H18O — CID 172617044

IUPAC6-methyl-5-methylideneoctanal
SMILESC=C(CCCC=O)C(C)CC
InChIInChI=1S/C10H18O/c1-4-9(2)10(3)7-5-6-8-11/h8-9H,3-7H2,1-2H3
InChIKeyNRUWRFKUZXPEMX-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About 6-methyl-5-methylideneoctanal

6-methyl-5-methylideneoctanal (PubChem CID 172617044) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-methyl-5-methylideneoctanal.

Molecular Properties

Compound Name6-methyl-5-methylideneoctanal
PubChem CID172617044
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-methyl-5-methylideneoctanal
SMILESC=C(CCCC=O)C(C)CC
InChIInChI=1S/C10H18O/c1-4-9(2)10(3)7-5-6-8-11/h8-9H,3-7H2,1-2H3
InChIKeyNRUWRFKUZXPEMX-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

3,8-dimethyl-4-methylidenedecane
CID 177054037
10-methyl-9-methylidenedodecan-3-one
CID 123893300
8-ethyl-3-methyl-4-methylideneundecane
CID 123341764
5-propan-2-ylhepta-5,6-dienal
CID 125494928
alumane;5-methylheptanal
CID 175597367
3-methylpentane;pentanal
CID 142027921
4-methyl-3-methylidenehexanoic acid
CID 55301020
2-methylidene-6-oxohexanoic acid
CID 87328269
4-methyl-5-methylidenenonane
CID 123995801
8-hydroxy-6-oxononanal
CID 91579516
6-methyl-5-methylideneoctan-2-imine
CID 123962275
S-propyl 4-methyl-3-methylidenehexanethioate
CID 146646991

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylideneoctanal?
The IUPAC name of 6-methyl-5-methylideneoctanal (CID 172617044) is 6-methyl-5-methylideneoctanal.
What is the SMILES notation for 6-methyl-5-methylideneoctanal?
The canonical SMILES for 6-methyl-5-methylideneoctanal is C=C(CCCC=O)C(C)CC.
What is the InChIKey of 6-methyl-5-methylideneoctanal?
The InChIKey is NRUWRFKUZXPEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-9(2)10(3)7-5-6-8-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-methyl-5-methylideneoctanal?
6-methyl-5-methylideneoctanal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylideneoctanal is sourced from PubChem (CID 172617044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).