(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene

C20H32 — CID 177497570

IUPAC(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
SMILESC=C1/C=C/[C@@H](C(C)C)CC/C(C)=C\CC/C(C)=C/CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16,20H,4,6-7,9-10,13,15H2,1-3,5H3/b14-12+,17-8+,19-11-/t20-/m1/s1
InChIKeyVYWGLUCGRVXWKB-MLZFFZODSA-N
MW272.48 g/mol
LogP6.62
Rot. Bonds1

About (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene

(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene (PubChem CID 177497570) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene.

Molecular Properties

Compound Name(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
PubChem CID177497570
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
SMILESC=C1/C=C/[C@@H](C(C)C)CC/C(C)=C\CC/C(C)=C/CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16,20H,4,6-7,9-10,13,15H2,1-3,5H3/b14-12+,17-8+,19-11-/t20-/m1/s1
InChIKeyVYWGLUCGRVXWKB-MLZFFZODSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene with MolForge

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Related Compounds

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(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
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(1E,5Z,10S)-3,7-dimethylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 165345238
1-methyl-5-methylidene-8-prop-1-en-2-ylcyclodeca-1,6-diene
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(1S,5Z,7R)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
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(1R,2Z,7Z,11Z,15S,16R)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
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(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
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Frequently Asked Questions

What is the IUPAC name of (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene?
The IUPAC name of (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene (CID 177497570) is (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene.
What is the SMILES notation for (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene?
The canonical SMILES for (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene is C=C1/C=C/[C@@H](C(C)C)CC/C(C)=C\CC/C(C)=C/CC1.
What is the InChIKey of (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene?
The InChIKey is VYWGLUCGRVXWKB-MLZFFZODSA-N. The full InChI is InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16,20H,4,6-7,9-10,13,15H2,1-3,5H3/b14-12+,17-8+,19-11-/t20-/m1/s1.
What are the key properties of (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene?
(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene has a molecular weight of 272.48 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene is sourced from PubChem (CID 177497570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).