(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene

C12H22 — CID 162769064

IUPAC(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene
SMILESC=C(C)C(=C)CC[C@@H](C)C(C)C
InChIInChI=1S/C12H22/c1-9(2)11(5)7-8-12(6)10(3)4/h10,12H,1,5,7-8H2,2-4,6H3/t12-/m1/s1
InChIKeyVDCXSCMUALCAMD-GFCCVEGCSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds5

About (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene

(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene (PubChem CID 162769064) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene.

Molecular Properties

Compound Name(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene
PubChem CID162769064
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene
SMILESC=C(C)C(=C)CC[C@@H](C)C(C)C
InChIInChI=1S/C12H22/c1-9(2)11(5)7-8-12(6)10(3)4/h10,12H,1,5,7-8H2,2-4,6H3/t12-/m1/s1
InChIKeyVDCXSCMUALCAMD-GFCCVEGCSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene?
The IUPAC name of (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene (CID 162769064) is (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene.
What is the SMILES notation for (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene?
The canonical SMILES for (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene is C=C(C)C(=C)CC[C@@H](C)C(C)C.
What is the InChIKey of (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene?
The InChIKey is VDCXSCMUALCAMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)11(5)7-8-12(6)10(3)4/h10,12H,1,5,7-8H2,2-4,6H3/t12-/m1/s1.
What are the key properties of (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene?
(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6,7-trimethyl-3-methylideneoct-1-ene is sourced from PubChem (CID 162769064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).