3,6,11-trimethyl-9-methylidenedodec-4-ene

C16H30 — CID 123241851

IUPAC3,6,11-trimethyl-9-methylidenedodec-4-ene
SMILESC=C(CCC(C)C=CC(C)CC)CC(C)C
InChIInChI=1S/C16H30/c1-7-14(4)8-9-15(5)10-11-16(6)12-13(2)3/h8-9,13-15H,6-7,10-12H2,1-5H3
InChIKeyPKWWFNDQOULBQA-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.61
Rot. Bonds8

About 3,6,11-trimethyl-9-methylidenedodec-4-ene

3,6,11-trimethyl-9-methylidenedodec-4-ene (PubChem CID 123241851) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3,6,11-trimethyl-9-methylidenedodec-4-ene.

Molecular Properties

Compound Name3,6,11-trimethyl-9-methylidenedodec-4-ene
PubChem CID123241851
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3,6,11-trimethyl-9-methylidenedodec-4-ene
SMILESC=C(CCC(C)C=CC(C)CC)CC(C)C
InChIInChI=1S/C16H30/c1-7-14(4)8-9-15(5)10-11-16(6)12-13(2)3/h8-9,13-15H,6-7,10-12H2,1-5H3
InChIKeyPKWWFNDQOULBQA-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-iodo-2-methyl-4-methylidenenonane
CID 118056979
3,6-dimethyloct-4-ene
CID 73165576
7-methyl-5-methylidene-N-propan-2-yloctan-2-amine
CID 155037203
2,6-dimethyl-4-methylideneoctane
CID 12567282
(2R)-2-methyl-5-methylideneheptanal
CID 10240896
2,8-dimethyl-5-methylidenenonane
CID 545812
(3Z)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
6-methyl-4-methylidene-2-propylheptanenitrile
CID 174255423
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
4-methyl-2-methylidenepentan-1-amine
CID 55284045
8-methyl-4-methylidenenona-1,2-diene
CID 174249080
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181

Frequently Asked Questions

What is the IUPAC name of 3,6,11-trimethyl-9-methylidenedodec-4-ene?
The IUPAC name of 3,6,11-trimethyl-9-methylidenedodec-4-ene (CID 123241851) is 3,6,11-trimethyl-9-methylidenedodec-4-ene.
What is the SMILES notation for 3,6,11-trimethyl-9-methylidenedodec-4-ene?
The canonical SMILES for 3,6,11-trimethyl-9-methylidenedodec-4-ene is C=C(CCC(C)C=CC(C)CC)CC(C)C.
What is the InChIKey of 3,6,11-trimethyl-9-methylidenedodec-4-ene?
The InChIKey is PKWWFNDQOULBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-7-14(4)8-9-15(5)10-11-16(6)12-13(2)3/h8-9,13-15H,6-7,10-12H2,1-5H3.
What are the key properties of 3,6,11-trimethyl-9-methylidenedodec-4-ene?
3,6,11-trimethyl-9-methylidenedodec-4-ene has a molecular weight of 222.42 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,11-trimethyl-9-methylidenedodec-4-ene is sourced from PubChem (CID 123241851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).