bis(dodeca-2,10-diene);methane

C27H56 — CID 159815244

IUPACbis(dodeca-2,10-diene);methane
SMILESC.C.C.CC=CCCCCCCC=CC.CC=CCCCCCCC=CC
InChIInChI=1S/2C12H22.3CH4/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*3-6H,7-12H2,1-2H3;3*1H4
InChIKeyNLNPHQNDFDMIOA-UHFFFAOYSA-N
MW380.75 g/mol
LogP10.87
Rot. Bonds14

About bis(dodeca-2,10-diene);methane

bis(dodeca-2,10-diene);methane (PubChem CID 159815244) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is bis(dodeca-2,10-diene);methane.

Molecular Properties

Compound Namebis(dodeca-2,10-diene);methane
PubChem CID159815244
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Namebis(dodeca-2,10-diene);methane
SMILESC.C.C.CC=CCCCCCCC=CC.CC=CCCCCCCC=CC
InChIInChI=1S/2C12H22.3CH4/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*3-6H,7-12H2,1-2H3;3*1H4
InChIKeyNLNPHQNDFDMIOA-UHFFFAOYSA-N
XLogP10.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.87
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

hentriaconta-2,10,29-triene
CID 150025785
icosa-2,10,18-triene
CID 74063823
(Z)-icos-2-ene
CID 5352524
10-chlorodec-2-ene
CID 54299561
octadeca-2,10-diene
CID 54270716
dec-8-ene-1-thiol
CID 90992267
12-chlorododec-2-ene
CID 56977389
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(E)-tetradec-12-enal
CID 5353009
pentadeca-2,10-diene
CID 174048350
(Z)-oct-2-ene
CID 5356796
pentadeca-2,6-diene
CID 165019979

Frequently Asked Questions

What is the IUPAC name of bis(dodeca-2,10-diene);methane?
The IUPAC name of bis(dodeca-2,10-diene);methane (CID 159815244) is bis(dodeca-2,10-diene);methane.
What is the SMILES notation for bis(dodeca-2,10-diene);methane?
The canonical SMILES for bis(dodeca-2,10-diene);methane is C.C.C.CC=CCCCCCCC=CC.CC=CCCCCCCC=CC.
What is the InChIKey of bis(dodeca-2,10-diene);methane?
The InChIKey is NLNPHQNDFDMIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22.3CH4/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*3-6H,7-12H2,1-2H3;3*1H4.
What are the key properties of bis(dodeca-2,10-diene);methane?
bis(dodeca-2,10-diene);methane has a molecular weight of 380.75 g/mol, XLogP of 10.87, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dodeca-2,10-diene);methane is sourced from PubChem (CID 159815244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).