4-methyl-2-methylidenehexanal

C8H14O — CID 130025202

IUPAC4-methyl-2-methylidenehexanal
SMILESC=C(C=O)CC(C)CC
InChIInChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h6-7H,3-5H2,1-2H3
InChIKeyHSZAOWVRIDREBV-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.18
Rot. Bonds4

About 4-methyl-2-methylidenehexanal

4-methyl-2-methylidenehexanal (PubChem CID 130025202) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-2-methylidenehexanal.

Molecular Properties

Compound Name4-methyl-2-methylidenehexanal
PubChem CID130025202
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methyl-2-methylidenehexanal
SMILESC=C(C=O)CC(C)CC
InChIInChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h6-7H,3-5H2,1-2H3
InChIKeyHSZAOWVRIDREBV-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.18
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'}

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Related Compounds

2-Methylenehexanal
CID 70612
3,7-Dimethyl-2-methylene-6-octenal, (+-)-
CID 90776
6,10,14-Trimethyl-2-methylenepentadecanal
CID 23286475
Heptanal, 2-methylene-
CID 77776
3,7-Dimethyl-2-methylene-6-octenal, (S)-
CID 11423795
2-(4-Methylcyclohex-3-en-1-yl)prop-2-enal
CID 10080561
5-Ethylcyclopentene-1-carbaldehyde
CID 580057
2-[(1S)-4-methylcyclohex-3-en-1-yl]prop-2-enal
CID 24807193
2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enal
CID 92467550
(6S,10S)-6,10,14-trimethyl-2-methylidenepentadecanal
CID 162843018
(6R,10R)-6,10,14-trimethyl-2-methylidenepentadecanal
CID 162843019
3,7-Dimethyl-2-methylene-6-octenal, (R)-
CID 11367206

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidenehexanal?
The IUPAC name of 4-methyl-2-methylidenehexanal (CID 130025202) is 4-methyl-2-methylidenehexanal.
What is the SMILES notation for 4-methyl-2-methylidenehexanal?
The canonical SMILES for 4-methyl-2-methylidenehexanal is C=C(C=O)CC(C)CC.
What is the InChIKey of 4-methyl-2-methylidenehexanal?
The InChIKey is HSZAOWVRIDREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-methylidenehexanal?
4-methyl-2-methylidenehexanal has a molecular weight of 126.20 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidenehexanal is sourced from PubChem (CID 130025202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).