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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Related Compounds

4-methyl-3-propan-2-ylhex-1-yne
CID 153404672
lithium but-3-yn-2-olate
CID 164665740
bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
CID 159672418
(3S)-4-methylpent-1-yn-3-amine
CID 11579133
3-ethyl-4-methylpent-1-yne
CID 15093812
but-3-yn-2-yloxyphosphane
CID 59946085
3-fluorobut-1-yne;fluoromethane
CID 91026864
(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne
CID 15416757
ethane;hydron;bis(2,3,4-trimethylpentane)
CID 160880864
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-heptacosamethylnonacosane;methane
CID 160593836
3-(1-hydroxyethyl)-2-methylpent-4-ynamide
CID 86180547
(4S)-2,3,4-trimethylhexane
CID 58359072

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).