9-propan-2-ylcyclododeca-1,5-diene

C15H26 — CID 54254739

IUPAC9-propan-2-ylcyclododeca-1,5-diene
SMILESCC(C)C1CCC=CCCC=CCCC1
InChIInChI=1S/C15H26/c1-14(2)15-12-10-8-6-4-3-5-7-9-11-13-15/h4,6-7,9,14-15H,3,5,8,10-13H2,1-2H3
InChIKeyQZFJXJYFXRYXKY-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.12
Rot. Bonds1

About 9-propan-2-ylcyclododeca-1,5-diene

9-propan-2-ylcyclododeca-1,5-diene (PubChem CID 54254739) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 9-propan-2-ylcyclododeca-1,5-diene.

Molecular Properties

Compound Name9-propan-2-ylcyclododeca-1,5-diene
PubChem CID54254739
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name9-propan-2-ylcyclododeca-1,5-diene
SMILESCC(C)C1CCC=CCCC=CCCC1
InChIInChI=1S/C15H26/c1-14(2)15-12-10-8-6-4-3-5-7-9-11-13-15/h4,6-7,9,14-15H,3,5,8,10-13H2,1-2H3
InChIKeyQZFJXJYFXRYXKY-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.12
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

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CID 177100043
3-methyl-6-propan-2-yl-1,2,4,5-tetrazine;(1E)-6-propan-2-ylcyclononene
CID 160616860
benzene;propan-2-ylcyclohexane
CID 163364158
propan-2-ylcyclobutane;1,4-xylene
CID 161065038
4-propan-2-ylcycloheptane-1-thiol
CID 65087635
methane;propan-2-ylcyclotetradecane
CID 159882779
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
(1Z)-6-methylcyclononene
CID 22177377
propane;propan-2-ylcyclopentane
CID 91615250
ethane;methane;propan-2-ylcyclohexane
CID 169430642
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-ylcyclododeca-1,5-diene?
The IUPAC name of 9-propan-2-ylcyclododeca-1,5-diene (CID 54254739) is 9-propan-2-ylcyclododeca-1,5-diene.
What is the SMILES notation for 9-propan-2-ylcyclododeca-1,5-diene?
The canonical SMILES for 9-propan-2-ylcyclododeca-1,5-diene is CC(C)C1CCC=CCCC=CCCC1.
What is the InChIKey of 9-propan-2-ylcyclododeca-1,5-diene?
The InChIKey is QZFJXJYFXRYXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-14(2)15-12-10-8-6-4-3-5-7-9-11-13-15/h4,6-7,9,14-15H,3,5,8,10-13H2,1-2H3.
What are the key properties of 9-propan-2-ylcyclododeca-1,5-diene?
9-propan-2-ylcyclododeca-1,5-diene has a molecular weight of 206.37 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-ylcyclododeca-1,5-diene is sourced from PubChem (CID 54254739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).