(3R)-3,7-dimethyloct-6-en-1-yne

C10H16 — CID 11378522

IUPAC(3R)-3,7-dimethyloct-6-en-1-yne
SMILESC#C[C@H](C)CCC=C(C)C
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h1,7,10H,6,8H2,2-4H3/t10-/m0/s1
InChIKeyLATOSUYHVBXYFF-JTQLQIEISA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds3

About (3R)-3,7-dimethyloct-6-en-1-yne

(3R)-3,7-dimethyloct-6-en-1-yne (PubChem CID 11378522) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3R)-3,7-dimethyloct-6-en-1-yne.

Molecular Properties

Compound Name(3R)-3,7-dimethyloct-6-en-1-yne
PubChem CID11378522
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3R)-3,7-dimethyloct-6-en-1-yne
SMILESC#C[C@H](C)CCC=C(C)C
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h1,7,10H,6,8H2,2-4H3/t10-/m0/s1
InChIKeyLATOSUYHVBXYFF-JTQLQIEISA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-dimethyloct-6-en-1-yne?
The IUPAC name of (3R)-3,7-dimethyloct-6-en-1-yne (CID 11378522) is (3R)-3,7-dimethyloct-6-en-1-yne.
What is the SMILES notation for (3R)-3,7-dimethyloct-6-en-1-yne?
The canonical SMILES for (3R)-3,7-dimethyloct-6-en-1-yne is C#C[C@H](C)CCC=C(C)C.
What is the InChIKey of (3R)-3,7-dimethyloct-6-en-1-yne?
The InChIKey is LATOSUYHVBXYFF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h1,7,10H,6,8H2,2-4H3/t10-/m0/s1.
What are the key properties of (3R)-3,7-dimethyloct-6-en-1-yne?
(3R)-3,7-dimethyloct-6-en-1-yne has a molecular weight of 136.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyloct-6-en-1-yne is sourced from PubChem (CID 11378522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).