2-methyl-3-propan-2-ylhex-4-yn-3-ol

C10H18O — CID 58691553

IUPAC2-methyl-3-propan-2-ylhex-4-yn-3-ol
SMILESCC#CC(O)(C(C)C)C(C)C
InChIInChI=1S/C10H18O/c1-6-7-10(11,8(2)3)9(4)5/h8-9,11H,1-5H3
InChIKeyJBWPMKWFRHCVKP-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-3-propan-2-ylhex-4-yn-3-ol

2-methyl-3-propan-2-ylhex-4-yn-3-ol (PubChem CID 58691553) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylhex-4-yn-3-ol
PubChem CID58691553
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methyl-3-propan-2-ylhex-4-yn-3-ol
SMILESCC#CC(O)(C(C)C)C(C)C
InChIInChI=1S/C10H18O/c1-6-7-10(11,8(2)3)9(4)5/h8-9,11H,1-5H3
InChIKeyJBWPMKWFRHCVKP-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-3-propan-2-ylhex-4-yn-3-ol?
The IUPAC name of 2-methyl-3-propan-2-ylhex-4-yn-3-ol (CID 58691553) is 2-methyl-3-propan-2-ylhex-4-yn-3-ol.
What is the SMILES notation for 2-methyl-3-propan-2-ylhex-4-yn-3-ol?
The canonical SMILES for 2-methyl-3-propan-2-ylhex-4-yn-3-ol is CC#CC(O)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylhex-4-yn-3-ol?
The InChIKey is JBWPMKWFRHCVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-7-10(11,8(2)3)9(4)5/h8-9,11H,1-5H3.
What are the key properties of 2-methyl-3-propan-2-ylhex-4-yn-3-ol?
2-methyl-3-propan-2-ylhex-4-yn-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylhex-4-yn-3-ol is sourced from PubChem (CID 58691553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).