10,10-dimethylhexadec-8-yne-7,7-diol

C18H34O2 — CID 177255804

IUPAC10,10-dimethylhexadec-8-yne-7,7-diol
SMILESCCCCCCC(C)(C)C#CC(O)(O)CCCCCC
InChIInChI=1S/C18H34O2/c1-5-7-9-11-13-17(3,4)15-16-18(19,20)14-12-10-8-6-2/h19-20H,5-14H2,1-4H3
InChIKeyRLFJJWUIAYBFMB-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.64
Rot. Bonds10

About 10,10-dimethylhexadec-8-yne-7,7-diol

10,10-dimethylhexadec-8-yne-7,7-diol (PubChem CID 177255804) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 10,10-dimethylhexadec-8-yne-7,7-diol.

Molecular Properties

Compound Name10,10-dimethylhexadec-8-yne-7,7-diol
PubChem CID177255804
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name10,10-dimethylhexadec-8-yne-7,7-diol
SMILESCCCCCCC(C)(C)C#CC(O)(O)CCCCCC
InChIInChI=1S/C18H34O2/c1-5-7-9-11-13-17(3,4)15-16-18(19,20)14-12-10-8-6-2/h19-20H,5-14H2,1-4H3
InChIKeyRLFJJWUIAYBFMB-UHFFFAOYSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

10,13-Dimethyl-11-docosyne-10,13-diol
CID 221270
8-Hexadecyne-7,10-diol, 7,10-dimethyl-
CID 221264
Tetramethyl hexadecanetriol
CID 54385997
Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)-
CID 2945488
9-Octadecyne-8,11-diol, 8,11-dimethyl-
CID 225159
7-Hydroxy-7-methyl-8-pentaeicosyne
CID 12021603
1-Hydroxy-1-octadecynylcyclododecane
CID 85827027
2-Methyleicosa-9,11,13-triyn-2-ol
CID 129752735
9-Methylheptadec-7-yn-9-ol
CID 135042632
2,15,15-Trimethylhexadecan-2-ol
CID 170848508
17,20-Dimethylhexatriacont-18-yne-17,20-diol
CID 300041
Bis(3-hydroxy-3-methylnon-1-yn-1-yl)mercury
CID 407652

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylhexadec-8-yne-7,7-diol?
The IUPAC name of 10,10-dimethylhexadec-8-yne-7,7-diol (CID 177255804) is 10,10-dimethylhexadec-8-yne-7,7-diol.
What is the SMILES notation for 10,10-dimethylhexadec-8-yne-7,7-diol?
The canonical SMILES for 10,10-dimethylhexadec-8-yne-7,7-diol is CCCCCCC(C)(C)C#CC(O)(O)CCCCCC.
What is the InChIKey of 10,10-dimethylhexadec-8-yne-7,7-diol?
The InChIKey is RLFJJWUIAYBFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-7-9-11-13-17(3,4)15-16-18(19,20)14-12-10-8-6-2/h19-20H,5-14H2,1-4H3.
What are the key properties of 10,10-dimethylhexadec-8-yne-7,7-diol?
10,10-dimethylhexadec-8-yne-7,7-diol has a molecular weight of 282.47 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylhexadec-8-yne-7,7-diol is sourced from PubChem (CID 177255804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).