3,8-dimethylidenetetradecane

C16H30 — CID 173410299

IUPAC3,8-dimethylidenetetradecane
SMILESC=C(CC)CCCCC(=C)CCCCCC
InChIInChI=1S/C16H30/c1-5-7-8-9-13-16(4)14-11-10-12-15(3)6-2/h3-14H2,1-2H3
InChIKeyCHCWTCUMEHESGL-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.04
Rot. Bonds11

About 3,8-dimethylidenetetradecane

3,8-dimethylidenetetradecane (PubChem CID 173410299) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3,8-dimethylidenetetradecane.

Molecular Properties

Compound Name3,8-dimethylidenetetradecane
PubChem CID173410299
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3,8-dimethylidenetetradecane
SMILESC=C(CC)CCCCC(=C)CCCCCC
InChIInChI=1S/C16H30/c1-5-7-8-9-13-16(4)14-11-10-12-15(3)6-2/h3-14H2,1-2H3
InChIKeyCHCWTCUMEHESGL-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.04
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

3-methylidenedecane
CID 21453024
6-methylidenedodecane
CID 21453027
3,8,15,20-tetramethylidenedocosane
CID 176610318
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
CID 173451985
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
3,8-dimethylidenetetradecane;bis(oct-1-ene)
CID 173443691
butane;3,8-dimethylideneundecane;pentane;propane
CID 143697639
9,14-dimethylidene-12-(3-methylidenepentyl)triacontane;ethane;nonane
CID 171825332
2-methylidenepentadecan-1-ol
CID 10847661

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylidenetetradecane?
The IUPAC name of 3,8-dimethylidenetetradecane (CID 173410299) is 3,8-dimethylidenetetradecane.
What is the SMILES notation for 3,8-dimethylidenetetradecane?
The canonical SMILES for 3,8-dimethylidenetetradecane is C=C(CC)CCCCC(=C)CCCCCC.
What is the InChIKey of 3,8-dimethylidenetetradecane?
The InChIKey is CHCWTCUMEHESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-5-7-8-9-13-16(4)14-11-10-12-15(3)6-2/h3-14H2,1-2H3.
What are the key properties of 3,8-dimethylidenetetradecane?
3,8-dimethylidenetetradecane has a molecular weight of 222.42 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylidenetetradecane is sourced from PubChem (CID 173410299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).