3-methylundeca-3,7-diene

C12H22 — CID 57021497

IUPAC3-methylundeca-3,7-diene
SMILESCCCC=CCCC=C(C)CC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-10-11-12(3)5-2/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyNGZJRAHZLLOSSK-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds6

About 3-methylundeca-3,7-diene

3-methylundeca-3,7-diene (PubChem CID 57021497) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-methylundeca-3,7-diene.

Molecular Properties

Compound Name3-methylundeca-3,7-diene
PubChem CID57021497
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-methylundeca-3,7-diene
SMILESCCCC=CCCC=C(C)CC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-10-11-12(3)5-2/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyNGZJRAHZLLOSSK-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
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

(6E,10E)-11-methyltrideca-6,10-dien-3-one
CID 135383533
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(E)-3-methylnon-3-ene
CID 5364647
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
(Z)-3-methylheptadec-3-ene
CID 159647191
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
(E)-4-methylhex-3-en-1-amine
CID 63969892

Frequently Asked Questions

What is the IUPAC name of 3-methylundeca-3,7-diene?
The IUPAC name of 3-methylundeca-3,7-diene (CID 57021497) is 3-methylundeca-3,7-diene.
What is the SMILES notation for 3-methylundeca-3,7-diene?
The canonical SMILES for 3-methylundeca-3,7-diene is CCCC=CCCC=C(C)CC.
What is the InChIKey of 3-methylundeca-3,7-diene?
The InChIKey is NGZJRAHZLLOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-7-8-9-10-11-12(3)5-2/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 3-methylundeca-3,7-diene?
3-methylundeca-3,7-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylundeca-3,7-diene is sourced from PubChem (CID 57021497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).