2,4,7,8-tetramethyldec-5-yne-4,7-diol

C14H26O2 — CID 22761481

IUPAC2,4,7,8-tetramethyldec-5-yne-4,7-diol
SMILESCCC(C)C(C)(O)C#CC(C)(O)CC(C)C
InChIInChI=1S/C14H26O2/c1-7-12(4)14(6,16)9-8-13(5,15)10-11(2)3/h11-12,15-16H,7,10H2,1-6H3
InChIKeyXXGVQFTXRQFDMH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.58
Rot. Bonds4

About 2,4,7,8-tetramethyldec-5-yne-4,7-diol

2,4,7,8-tetramethyldec-5-yne-4,7-diol (PubChem CID 22761481) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,4,7,8-tetramethyldec-5-yne-4,7-diol.

Molecular Properties

Compound Name2,4,7,8-tetramethyldec-5-yne-4,7-diol
PubChem CID22761481
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,4,7,8-tetramethyldec-5-yne-4,7-diol
SMILESCCC(C)C(C)(O)C#CC(C)(O)CC(C)C
InChIInChI=1S/C14H26O2/c1-7-12(4)14(6,16)9-8-13(5,15)10-11(2)3/h11-12,15-16H,7,10H2,1-6H3
InChIKeyXXGVQFTXRQFDMH-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,9-Tetramethyl-5-decyne-4,7-diol
CID 31362
6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-
CID 109234
2,7-Dimethyl-3,6-di(propan-2-yl)oct-4-yne-3,6-diol
CID 221262
3-Ethyl-2-methyl-2-pentanol
CID 519706
2,3,4-Trimethylpentan-2-ol
CID 18280
3-Isopropyl-4-methyl-1-pentyn-3-ol
CID 220090
4,7-Dimethyl-5-decyne-4,7-diol
CID 135969
2,3,6,7-Tetramethyloct-4-yne-3,6-diol
CID 225152
4,7-Dipropyldec-5-yne-4,7-diol
CID 232077
4-Isopropyl-5-methylhex-2-yne-1,4-diol
CID 539414
6-Methyl-5-isopropyl-3-heptyne-2,5-diol
CID 587957
2-Methyl-3-(1-methylethyl)-hex-4-yn-3-ol
CID 58691553

Frequently Asked Questions

What is the IUPAC name of 2,4,7,8-tetramethyldec-5-yne-4,7-diol?
The IUPAC name of 2,4,7,8-tetramethyldec-5-yne-4,7-diol (CID 22761481) is 2,4,7,8-tetramethyldec-5-yne-4,7-diol.
What is the SMILES notation for 2,4,7,8-tetramethyldec-5-yne-4,7-diol?
The canonical SMILES for 2,4,7,8-tetramethyldec-5-yne-4,7-diol is CCC(C)C(C)(O)C#CC(C)(O)CC(C)C.
What is the InChIKey of 2,4,7,8-tetramethyldec-5-yne-4,7-diol?
The InChIKey is XXGVQFTXRQFDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-12(4)14(6,16)9-8-13(5,15)10-11(2)3/h11-12,15-16H,7,10H2,1-6H3.
What are the key properties of 2,4,7,8-tetramethyldec-5-yne-4,7-diol?
2,4,7,8-tetramethyldec-5-yne-4,7-diol has a molecular weight of 226.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,8-tetramethyldec-5-yne-4,7-diol is sourced from PubChem (CID 22761481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).