2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol

C14H26O — CID 20823872

IUPAC2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol
SMILESCC(C)C#CC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C14H26O/c1-11(2)7-8-14(15,9-12(3)4)10-13(5)6/h11-13,15H,9-10H2,1-6H3
InChIKeyQXOGYDKELXPOFF-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.47
Rot. Bonds4

About 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol

2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol (PubChem CID 20823872) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol.

Molecular Properties

Compound Name2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol
PubChem CID20823872
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol
SMILESCC(C)C#CC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C14H26O/c1-11(2)7-8-14(15,9-12(3)4)10-13(5)6/h11-13,15H,9-10H2,1-6H3
InChIKeyQXOGYDKELXPOFF-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-Dimethyl-3-heptanol
CID 15297
3,6-Dimethyl-1-heptyn-3-ol
CID 89182
3-Methyl-1-octyn-3-ol
CID 90956
2,4,6-Trimethylheptan-4-ol
CID 143748
1-Octyn-3-ol, 3,6-dimethyl-
CID 174244
3-Ethyl-1-heptyn-3-ol
CID 220863
4,7-Dimethyl-4-octanol
CID 89224
2,4-Dimethyl-4-octanol
CID 568123
1,1-Diisobutyl-1-butanol
CID 582114
3,7-Dimethyl-1-octyn-3-ol
CID 9812829
2,4-Dimethyl-4-heptanol
CID 29654
2,3-Dimethyl-3-heptanol
CID 140544

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol?
The IUPAC name of 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol (CID 20823872) is 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol.
What is the SMILES notation for 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol?
The canonical SMILES for 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol is CC(C)C#CC(O)(CC(C)C)CC(C)C.
What is the InChIKey of 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol?
The InChIKey is QXOGYDKELXPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)7-8-14(15,9-12(3)4)10-13(5)6/h11-13,15H,9-10H2,1-6H3.
What are the key properties of 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol?
2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol has a molecular weight of 210.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-(2-methylpropyl)oct-5-yn-4-ol is sourced from PubChem (CID 20823872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).