4,5-dimethyl-3-propan-2-ylhex-1-yne

C11H20 — CID 91321412

IUPAC4,5-dimethyl-3-propan-2-ylhex-1-yne
SMILESC#CC(C(C)C)C(C)C(C)C
InChIInChI=1S/C11H20/c1-7-11(9(4)5)10(6)8(2)3/h1,8-11H,2-6H3
InChIKeyRUMAMJXECPQYHY-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.18
Rot. Bonds3

About 4,5-dimethyl-3-propan-2-ylhex-1-yne

4,5-dimethyl-3-propan-2-ylhex-1-yne (PubChem CID 91321412) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4,5-dimethyl-3-propan-2-ylhex-1-yne.

Molecular Properties

Compound Name4,5-dimethyl-3-propan-2-ylhex-1-yne
PubChem CID91321412
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4,5-dimethyl-3-propan-2-ylhex-1-yne
SMILESC#CC(C(C)C)C(C)C(C)C
InChIInChI=1S/C11H20/c1-7-11(9(4)5)10(6)8(2)3/h1,8-11H,2-6H3
InChIKeyRUMAMJXECPQYHY-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propan-2-ylhex-1-yne?
The IUPAC name of 4,5-dimethyl-3-propan-2-ylhex-1-yne (CID 91321412) is 4,5-dimethyl-3-propan-2-ylhex-1-yne.
What is the SMILES notation for 4,5-dimethyl-3-propan-2-ylhex-1-yne?
The canonical SMILES for 4,5-dimethyl-3-propan-2-ylhex-1-yne is C#CC(C(C)C)C(C)C(C)C.
What is the InChIKey of 4,5-dimethyl-3-propan-2-ylhex-1-yne?
The InChIKey is RUMAMJXECPQYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-7-11(9(4)5)10(6)8(2)3/h1,8-11H,2-6H3.
What are the key properties of 4,5-dimethyl-3-propan-2-ylhex-1-yne?
4,5-dimethyl-3-propan-2-ylhex-1-yne has a molecular weight of 152.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-propan-2-ylhex-1-yne is sourced from PubChem (CID 91321412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).