(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene

C15H25+ — CID 164665810

IUPAC(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene
SMILESC/C1=C\C[C@H]([C+](C)C)CC/C(C)=C/CC1
InChIInChI=1S/C15H25/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,5,7-8,10-11H2,1-4H3/q+1/b13-6+,14-9+/t15-/m1/s1
InChIKeyBIAIGGCJAWTYOX-DFSVIBJJSA-N
MW205.36 g/mol
LogP5.07
Rot. Bonds1

About (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene

(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene (PubChem CID 164665810) has the molecular formula C15H25+ and a molecular weight of 205.36 g/mol. Its IUPAC name is (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene.

Molecular Properties

Compound Name(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene
PubChem CID164665810
Molecular FormulaC15H25+
Molecular Weight205.36 g/mol
Exact Mass205.20
IUPAC Name(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene
SMILESC/C1=C\C[C@H]([C+](C)C)CC/C(C)=C/CC1
InChIInChI=1S/C15H25/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,5,7-8,10-11H2,1-4H3/q+1/b13-6+,14-9+/t15-/m1/s1
InChIKeyBIAIGGCJAWTYOX-DFSVIBJJSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene with MolForge

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Related Compounds

(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
(1E,5E,8R,10R)-1,5-dimethyl-8,10-bis(prop-1-en-2-yl)cyclododeca-1,5-diene
CID 14192378
2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
CID 162979142
2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
CID 90888047
2-[(1R,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
CID 87760907
1,4-dimethyl(113C)cyclohexene
CID 11018826
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296

Frequently Asked Questions

What is the IUPAC name of (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene?
The IUPAC name of (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene (CID 164665810) is (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene.
What is the SMILES notation for (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene?
The canonical SMILES for (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene is C/C1=C\C[C@H]([C+](C)C)CC/C(C)=C/CC1.
What is the InChIKey of (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene?
The InChIKey is BIAIGGCJAWTYOX-DFSVIBJJSA-N. The full InChI is InChI=1S/C15H25/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,5,7-8,10-11H2,1-4H3/q+1/b13-6+,14-9+/t15-/m1/s1.
What are the key properties of (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene?
(1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene has a molecular weight of 205.36 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E,8R)-1,5-dimethyl-8-propan-2-ylcyclodeca-1,5-diene is sourced from PubChem (CID 164665810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).