(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene

C20H32 — CID 162972560

IUPAC(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene
SMILESCC(C)=CCC=C(C)[C@H]1CC=C(C)CCC=C(C)CC1
InChIInChI=1S/C20H32/c1-16(2)8-6-11-19(5)20-14-12-17(3)9-7-10-18(4)13-15-20/h8-9,11,13,20H,6-7,10,12,14-15H2,1-5H3/t20-/m1/s1
InChIKeyRJFRLXFXOBUPFW-HXUWFJFHSA-N
MW272.48 g/mol
LogP6.76
Rot. Bonds3

About (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene

(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene (PubChem CID 162972560) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene.

Molecular Properties

Compound Name(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene
PubChem CID162972560
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene
SMILESCC(C)=CCC=C(C)[C@H]1CC=C(C)CCC=C(C)CC1
InChIInChI=1S/C20H32/c1-16(2)8-6-11-19(5)20-14-12-17(3)9-7-10-18(4)13-15-20/h8-9,11,13,20H,6-7,10,12,14-15H2,1-5H3/t20-/m1/s1
InChIKeyRJFRLXFXOBUPFW-HXUWFJFHSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.76
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 (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene?
The IUPAC name of (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene (CID 162972560) is (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene.
What is the SMILES notation for (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene?
The canonical SMILES for (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene is CC(C)=CCC=C(C)[C@H]1CC=C(C)CCC=C(C)CC1.
What is the InChIKey of (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene?
The InChIKey is RJFRLXFXOBUPFW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32/c1-16(2)8-6-11-19(5)20-14-12-17(3)9-7-10-18(4)13-15-20/h8-9,11,13,20H,6-7,10,12,14-15H2,1-5H3/t20-/m1/s1.
What are the key properties of (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene?
(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene has a molecular weight of 272.48 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene is sourced from PubChem (CID 162972560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).