acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol

C16H28O2 — CID 159479828

IUPACacetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol
SMILESC#C.CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
InChIInChI=1S/C14H26O2.C2H2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-2/h11-12,15-16H,9-10H2,1-6H3;1-2H
InChIKeyLWVZLTLMVOLBQD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.83
Rot. Bonds4

About acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol

acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol (PubChem CID 159479828) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol.

Molecular Properties

Compound Nameacetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol
PubChem CID159479828
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Nameacetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol
SMILESC#C.CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
InChIInChI=1S/C14H26O2.C2H2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-2/h11-12,15-16H,9-10H2,1-6H3;1-2H
InChIKeyLWVZLTLMVOLBQD-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.83
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

ethynol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 88790706
4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 160526423
2,4,7,8-tetramethyldec-5-yne-4,7-diol
CID 22761481
5-methylhex-1-yne-3,3-diol
CID 178069364
2,4,7,9-tetramethylicosa-5,15-diyne-4,7-diol
CID 87658422
1,1-difluoro-2,4-dimethylpentan-2-ol
CID 80605708
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
3-tert-butyl-3,5-dimethylhexane-2,2-diol
CID 89484377
3,3,5-trimethylhexan-2-one
CID 2776079
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
CID 15152905
2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
CID 114865146
acetylene;2,4-dimethylpentane
CID 167651238

Frequently Asked Questions

What is the IUPAC name of acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The IUPAC name of acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol (CID 159479828) is acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol.
What is the SMILES notation for acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The canonical SMILES for acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol is C#C.CC(C)CC(C)(O)C#CC(C)(O)CC(C)C.
What is the InChIKey of acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The InChIKey is LWVZLTLMVOLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.C2H2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-2/h11-12,15-16H,9-10H2,1-6H3;1-2H.
What are the key properties of acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol has a molecular weight of 252.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol is sourced from PubChem (CID 159479828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).