2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol

C10H18O — CID 20698412

IUPAC2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol
SMILESCC#CC(C)(CO)CC(C)C
InChIInChI=1S/C10H18O/c1-5-6-10(4,8-11)7-9(2)3/h9,11H,7-8H2,1-4H3
InChIKeyMEFIPSPISMBYPS-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol

2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol (PubChem CID 20698412) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol
PubChem CID20698412
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol
SMILESCC#CC(C)(CO)CC(C)C
InChIInChI=1S/C10H18O/c1-5-6-10(4,8-11)7-9(2)3/h9,11H,7-8H2,1-4H3
InChIKeyMEFIPSPISMBYPS-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

2,2,4-Trimethyl-1-pentanol
CID 31258
2,4,4-Trimethylpentan-1-ol
CID 85984
1,3-Propanediol, 2-isobutyl-2-methyl-
CID 117511
2,2-Dimethylhex-5-yn-1-ol
CID 54751861
2-Methyl-5-octyn-4-ol
CID 143720
3-Methyloct-6-yn-1-ol
CID 74439049
3,3,4-Trimethylpentan-1-ol
CID 12425334
2,2,4-Trimethylpentane-1,5-diol
CID 12674040
2,3,3-Trimethylpentan-1-ol
CID 12869986
2-Isobutyl-2-hydroxymethylpropan-1,3-diol
CID 12930535
2,2,3-Trimethyl-1-pentanol
CID 14747420
2,2,3,4-Tetramethylpentan-1-ol
CID 23384758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol?
The IUPAC name of 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol (CID 20698412) is 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol.
What is the SMILES notation for 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol?
The canonical SMILES for 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol is CC#CC(C)(CO)CC(C)C.
What is the InChIKey of 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol?
The InChIKey is MEFIPSPISMBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-10(4,8-11)7-9(2)3/h9,11H,7-8H2,1-4H3.
What are the key properties of 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol?
2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropyl)pent-3-yn-1-ol is sourced from PubChem (CID 20698412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).