(1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene

C15H24 — CID 162886196

IUPAC(1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene
SMILESC=C1/C=C/[C@H](C(C)C)CC/C=C(\C)CC1
InChIInChI=1S/C15H24/c1-12(2)15-7-5-6-13(3)8-9-14(4)10-11-15/h6,10-12,15H,4-5,7-9H2,1-3H3/b11-10+,13-6+/t15-/m1/s1
InChIKeyOJIGFVZZEVQUNV-VVBHUWMKSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds1

About (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene

(1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene (PubChem CID 162886196) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene.

Molecular Properties

Compound Name(1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene
PubChem CID162886196
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene
SMILESC=C1/C=C/[C@H](C(C)C)CC/C=C(\C)CC1
InChIInChI=1S/C15H24/c1-12(2)15-7-5-6-13(3)8-9-14(4)10-11-15/h6,10-12,15H,4-5,7-9H2,1-3H3/b11-10+,13-6+/t15-/m1/s1
InChIKeyOJIGFVZZEVQUNV-VVBHUWMKSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene?
The IUPAC name of (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene (CID 162886196) is (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene.
What is the SMILES notation for (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene?
The canonical SMILES for (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene is C=C1/C=C/[C@H](C(C)C)CC/C=C(\C)CC1.
What is the InChIKey of (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene?
The InChIKey is OJIGFVZZEVQUNV-VVBHUWMKSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)15-7-5-6-13(3)8-9-14(4)10-11-15/h6,10-12,15H,4-5,7-9H2,1-3H3/b11-10+,13-6+/t15-/m1/s1.
What are the key properties of (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene?
(1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene has a molecular weight of 204.36 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene is sourced from PubChem (CID 162886196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).