1,2,4,7,8,9-hexamethylcyclonona-1,4-diene

C15H26 — CID 123566632

IUPAC1,2,4,7,8,9-hexamethylcyclonona-1,4-diene
SMILESCC1=CCC(C)C(C)C(C)C(C)=C(C)C1
InChIInChI=1S/C15H26/c1-10-7-8-11(2)13(4)15(6)14(5)12(3)9-10/h7,11,13,15H,8-9H2,1-6H3
InChIKeyCASNXVBWVULWMW-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds

About 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene

1,2,4,7,8,9-hexamethylcyclonona-1,4-diene (PubChem CID 123566632) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene.

Molecular Properties

Compound Name1,2,4,7,8,9-hexamethylcyclonona-1,4-diene
PubChem CID123566632
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1,2,4,7,8,9-hexamethylcyclonona-1,4-diene
SMILESCC1=CCC(C)C(C)C(C)C(C)=C(C)C1
InChIInChI=1S/C15H26/c1-10-7-8-11(2)13(4)15(6)14(5)12(3)9-10/h7,11,13,15H,8-9H2,1-6H3
InChIKeyCASNXVBWVULWMW-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.97
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

(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
carbonic acid;1,4,5-trimethylcyclohexene
CID 70461884
1-[(1S,6S)-4,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 58114065
1,4-dimethyl(113C)cyclohexene
CID 11018826
(1S,2R)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 787405
2,3,4,5-tetramethylcyclohexene-1-thiol
CID 142867217
(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine
CID 163863407
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
2,5-dimethylcyclohept-4-en-1-one
CID 11815431
(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
CID 163531079
1,4-dimethylcyclodecene
CID 173437289
(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene
CID 155485152

Frequently Asked Questions

What is the IUPAC name of 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene?
The IUPAC name of 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene (CID 123566632) is 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene.
What is the SMILES notation for 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene?
The canonical SMILES for 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene is CC1=CCC(C)C(C)C(C)C(C)=C(C)C1.
What is the InChIKey of 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene?
The InChIKey is CASNXVBWVULWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10-7-8-11(2)13(4)15(6)14(5)12(3)9-10/h7,11,13,15H,8-9H2,1-6H3.
What are the key properties of 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene?
1,2,4,7,8,9-hexamethylcyclonona-1,4-diene has a molecular weight of 206.37 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,7,8,9-hexamethylcyclonona-1,4-diene is sourced from PubChem (CID 123566632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).