4-methyl-3-propan-2-ylhex-1-yne

C10H18 — CID 153404672

IUPAC4-methyl-3-propan-2-ylhex-1-yne
SMILESC#CC(C(C)C)C(C)CC
InChIInChI=1S/C10H18/c1-6-9(5)10(7-2)8(3)4/h2,8-10H,6H2,1,3-5H3
InChIKeyJVZYWRLGHMPPCO-UHFFFAOYSA-N
MW138.25 g/mol
LogP2.94
Rot. Bonds3

About 4-methyl-3-propan-2-ylhex-1-yne

4-methyl-3-propan-2-ylhex-1-yne (PubChem CID 153404672) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 4-methyl-3-propan-2-ylhex-1-yne.

Molecular Properties

Compound Name4-methyl-3-propan-2-ylhex-1-yne
PubChem CID153404672
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name4-methyl-3-propan-2-ylhex-1-yne
SMILESC#CC(C(C)C)C(C)CC
InChIInChI=1S/C10H18/c1-6-9(5)10(7-2)8(3)4/h2,8-10H,6H2,1,3-5H3
InChIKeyJVZYWRLGHMPPCO-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 52.94
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-methyl-3-propan-2-ylhex-1-yne?
The IUPAC name of 4-methyl-3-propan-2-ylhex-1-yne (CID 153404672) is 4-methyl-3-propan-2-ylhex-1-yne.
What is the SMILES notation for 4-methyl-3-propan-2-ylhex-1-yne?
The canonical SMILES for 4-methyl-3-propan-2-ylhex-1-yne is C#CC(C(C)C)C(C)CC.
What is the InChIKey of 4-methyl-3-propan-2-ylhex-1-yne?
The InChIKey is JVZYWRLGHMPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-6-9(5)10(7-2)8(3)4/h2,8-10H,6H2,1,3-5H3.
What are the key properties of 4-methyl-3-propan-2-ylhex-1-yne?
4-methyl-3-propan-2-ylhex-1-yne has a molecular weight of 138.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-ylhex-1-yne is sourced from PubChem (CID 153404672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).