3,7-dimethyl-2-methylideneoct-7-enal

C11H18O — CID 138692608

IUPAC3,7-dimethyl-2-methylideneoct-7-enal
SMILESC=C(C)CCCC(C)C(=C)C=O
InChIInChI=1S/C11H18O/c1-9(2)6-5-7-10(3)11(4)8-12/h8,10H,1,4-7H2,2-3H3
InChIKeyXPCBKVDJKOOLTD-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds6

About 3,7-dimethyl-2-methylideneoct-7-enal

3,7-dimethyl-2-methylideneoct-7-enal (PubChem CID 138692608) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,7-dimethyl-2-methylideneoct-7-enal.

Molecular Properties

Compound Name3,7-dimethyl-2-methylideneoct-7-enal
PubChem CID138692608
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,7-dimethyl-2-methylideneoct-7-enal
SMILESC=C(C)CCCC(C)C(=C)C=O
InChIInChI=1S/C11H18O/c1-9(2)6-5-7-10(3)11(4)8-12/h8,10H,1,4-7H2,2-3H3
InChIKeyXPCBKVDJKOOLTD-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-dimethylhept-6-enoic acid
CID 57381237
2,3,8-trimethylnona-1,8-diene
CID 155711646
2,2-dimethylbutane;2,6-dimethylhept-1-ene;methanethioic S-acid
CID 143571588
2,7-dimethyloct-7-en-3-ol
CID 79185633
(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
7-iodo-2,6-dimethylhept-1-ene
CID 138692615
7-bromo-2,6-dimethylhept-1-ene
CID 114477377
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
2,8-dimethylnon-8-en-3-one
CID 114477246
2,7-dimethylnon-1-ene
CID 123682074
2,14-dimethylpentadeca-1,14-diene
CID 123962057

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-methylideneoct-7-enal?
The IUPAC name of 3,7-dimethyl-2-methylideneoct-7-enal (CID 138692608) is 3,7-dimethyl-2-methylideneoct-7-enal.
What is the SMILES notation for 3,7-dimethyl-2-methylideneoct-7-enal?
The canonical SMILES for 3,7-dimethyl-2-methylideneoct-7-enal is C=C(C)CCCC(C)C(=C)C=O.
What is the InChIKey of 3,7-dimethyl-2-methylideneoct-7-enal?
The InChIKey is XPCBKVDJKOOLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)11(4)8-12/h8,10H,1,4-7H2,2-3H3.
What are the key properties of 3,7-dimethyl-2-methylideneoct-7-enal?
3,7-dimethyl-2-methylideneoct-7-enal has a molecular weight of 166.26 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-methylideneoct-7-enal is sourced from PubChem (CID 138692608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).