(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene

C62H124 — CID 161032897

IUPAC(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
SMILESCC(C)CCC/C=C/CCCC(C)C.CC(C)CCC/C=C/CCCCCCC(C)C.CC(C)CCC/C=C\CCCC(C)C.CC(C)CCC/C=C\CCCCCCC(C)C
InChIInChI=1S/2C17H34.2C14H28/c2*1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4;2*1-13(2)11-9-7-5-6-8-10-12-14(3)4/h2*6,8,16-17H,5,7,9-15H2,1-4H3;2*5-6,13-14H,7-12H2,1-4H3/b8-6+;8-6-;6-5+;6-5-
InChIKeyTZVYIAMNFMIACI-NIWBSMOXSA-N
MW869.67 g/mol
LogP23.12
Rot. Bonds38

About (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene

(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene (PubChem CID 161032897) has the molecular formula C62H124 and a molecular weight of 869.67 g/mol. Its IUPAC name is (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene.

Molecular Properties

Compound Name(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
PubChem CID161032897
Molecular FormulaC62H124
Molecular Weight869.67 g/mol
Exact Mass868.97
IUPAC Name(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
SMILESCC(C)CCC/C=C/CCCC(C)C.CC(C)CCC/C=C/CCCCCCC(C)C.CC(C)CCC/C=C\CCCC(C)C.CC(C)CCC/C=C\CCCCCCC(C)C
InChIInChI=1S/2C17H34.2C14H28/c2*1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4;2*1-13(2)11-9-7-5-6-8-10-12-14(3)4/h2*6,8,16-17H,5,7,9-15H2,1-4H3;2*5-6,13-14H,7-12H2,1-4H3/b8-6+;8-6-;6-5+;6-5-
InChIKeyTZVYIAMNFMIACI-NIWBSMOXSA-N
XLogP23.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.67
LogP ≤ 523.12
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'}

Analyze (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene with MolForge

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Related Compounds

(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2,11-dimethyldodec-5-ene
CID 168834978
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
10-methylundec-3-ene
CID 544769
2,13-dimethyltetradec-4-ene
CID 139930710

Frequently Asked Questions

What is the IUPAC name of (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene?
The IUPAC name of (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene (CID 161032897) is (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene.
What is the SMILES notation for (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene?
The canonical SMILES for (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene is CC(C)CCC/C=C/CCCC(C)C.CC(C)CCC/C=C/CCCCCCC(C)C.CC(C)CCC/C=C\CCCC(C)C.CC(C)CCC/C=C\CCCCCCC(C)C.
What is the InChIKey of (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene?
The InChIKey is TZVYIAMNFMIACI-NIWBSMOXSA-N. The full InChI is InChI=1S/2C17H34.2C14H28/c2*1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4;2*1-13(2)11-9-7-5-6-8-10-12-14(3)4/h2*6,8,16-17H,5,7,9-15H2,1-4H3;2*5-6,13-14H,7-12H2,1-4H3/b8-6+;8-6-;6-5+;6-5-.
What are the key properties of (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene?
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene has a molecular weight of 869.67 g/mol, XLogP of 23.12, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene is sourced from PubChem (CID 161032897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).