(4R)-4,8-dimethylnon-7-en-1-yne

C11H18 — CID 100975019

IUPAC(4R)-4,8-dimethylnon-7-en-1-yne
SMILESC#CC[C@H](C)CCC=C(C)C
InChIInChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h1,8,11H,6-7,9H2,2-4H3/t11-/m0/s1
InChIKeyBDRLOYHDMFFLRL-NSHDSACASA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds4

About (4R)-4,8-dimethylnon-7-en-1-yne

(4R)-4,8-dimethylnon-7-en-1-yne (PubChem CID 100975019) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (4R)-4,8-dimethylnon-7-en-1-yne.

Molecular Properties

Compound Name(4R)-4,8-dimethylnon-7-en-1-yne
PubChem CID100975019
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(4R)-4,8-dimethylnon-7-en-1-yne
SMILESC#CC[C@H](C)CCC=C(C)C
InChIInChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h1,8,11H,6-7,9H2,2-4H3/t11-/m0/s1
InChIKeyBDRLOYHDMFFLRL-NSHDSACASA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
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 (4R)-4,8-dimethylnon-7-en-1-yne?
The IUPAC name of (4R)-4,8-dimethylnon-7-en-1-yne (CID 100975019) is (4R)-4,8-dimethylnon-7-en-1-yne.
What is the SMILES notation for (4R)-4,8-dimethylnon-7-en-1-yne?
The canonical SMILES for (4R)-4,8-dimethylnon-7-en-1-yne is C#CC[C@H](C)CCC=C(C)C.
What is the InChIKey of (4R)-4,8-dimethylnon-7-en-1-yne?
The InChIKey is BDRLOYHDMFFLRL-NSHDSACASA-N. The full InChI is InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h1,8,11H,6-7,9H2,2-4H3/t11-/m0/s1.
What are the key properties of (4R)-4,8-dimethylnon-7-en-1-yne?
(4R)-4,8-dimethylnon-7-en-1-yne has a molecular weight of 150.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,8-dimethylnon-7-en-1-yne is sourced from PubChem (CID 100975019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).