4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene

C18H32 — CID 173347034

IUPAC4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene
SMILESC=CCCCCC(=CC(C)CC)CC(C)CC=C
InChIInChI=1S/C18H32/c1-6-9-10-11-13-18(14-16(4)8-3)15-17(5)12-7-2/h6-7,14,16-17H,1-2,8-13,15H2,3-5H3
InChIKeyOHRVLPMANSQOQZ-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.31
Rot. Bonds11

About 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene

4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene (PubChem CID 173347034) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene.

Molecular Properties

Compound Name4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene
PubChem CID173347034
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene
SMILESC=CCCCCC(=CC(C)CC)CC(C)CC=C
InChIInChI=1S/C18H32/c1-6-9-10-11-13-18(14-16(4)8-3)15-17(5)12-7-2/h6-7,14,16-17H,1-2,8-13,15H2,3-5H3
InChIKeyOHRVLPMANSQOQZ-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene
CID 173351227
7-ethylnona-1,7-diene
CID 54551079
14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465
7-methylundec-1-ene
CID 522554
4-ethyl-7-methylnona-1,5-diene
CID 123181426
7-ethyl-8-methylnona-1,7-diene
CID 174916778
28-hexylpentaconta-1,28-diene
CID 90932256
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
8-methylnonadec-1-ene
CID 90877384
13-methylhexadec-1-ene
CID 71373615
sodium;hydride;4-methylhex-1-ene
CID 173048656

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene?
The IUPAC name of 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene (CID 173347034) is 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene.
What is the SMILES notation for 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene?
The canonical SMILES for 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene is C=CCCCCC(=CC(C)CC)CC(C)CC=C.
What is the InChIKey of 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene?
The InChIKey is OHRVLPMANSQOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-6-9-10-11-13-18(14-16(4)8-3)15-17(5)12-7-2/h6-7,14,16-17H,1-2,8-13,15H2,3-5H3.
What are the key properties of 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene?
4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene has a molecular weight of 248.45 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene is sourced from PubChem (CID 173347034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).