2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol

C13H24O — CID 114865146

IUPAC2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
SMILESC#CCCC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C13H24O/c1-6-7-8-13(14,9-11(2)3)10-12(4)5/h1,11-12,14H,7-10H2,2-5H3
InChIKeyNBIOWYNYCHDNDN-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds6

About 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol

2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol (PubChem CID 114865146) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
PubChem CID114865146
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
SMILESC#CCCC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C13H24O/c1-6-7-8-13(14,9-11(2)3)10-12(4)5/h1,11-12,14H,7-10H2,2-5H3
InChIKeyNBIOWYNYCHDNDN-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
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-methylhex-5-yn-2-ol
CID 10996988
1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865192
5-methylhex-1-yne-3,3-diol
CID 178069364
2-methyl-1-(2-methylpropylamino)hex-5-yn-2-ol
CID 66037293
6-methyl-2-(2-methylpropyl)heptane-1,2-diol
CID 171442388
ethynol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 88790706
6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
CID 114865537
acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 159479828
1-ethylsulfonyl-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865370
(3S)-3-amino-5-methylhexane-1,3-diol
CID 130357952
CID 174021420
CID 174021420
3-methyloct-7-yne-3,4-diol
CID 103448564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol?
The IUPAC name of 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol (CID 114865146) is 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol is C#CCCC(O)(CC(C)C)CC(C)C.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol?
The InChIKey is NBIOWYNYCHDNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-7-8-13(14,9-11(2)3)10-12(4)5/h1,11-12,14H,7-10H2,2-5H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol?
2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol is sourced from PubChem (CID 114865146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).