(4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol

C16H22O — CID 15880988

IUPAC(4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol
SMILESCC(C)(C)C[C@@H](O)C#CCCc1ccccc1
InChIInChI=1S/C16H22O/c1-16(2,3)13-15(17)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,15,17H,7,11,13H2,1-3H3/t15-/m0/s1
InChIKeyNFISIVCYFGPQFN-HNNXBMFYSA-N
MW230.35 g/mol
LogP3.42
Rot. Bonds3

About (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol

(4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol (PubChem CID 15880988) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol
PubChem CID15880988
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol
SMILESCC(C)(C)C[C@@H](O)C#CCCc1ccccc1
InChIInChI=1S/C16H22O/c1-16(2,3)13-15(17)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,15,17H,7,11,13H2,1-3H3/t15-/m0/s1
InChIKeyNFISIVCYFGPQFN-HNNXBMFYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.42
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

(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
(3S,4S)-2,4-dimethyl-8-phenyloct-5-yn-3-ol
CID 102598635
6-phenyl-2-(trifluoromethyl)hex-3-ynoic acid
CID 118040278
8-phenyloct-4-yne-1,6-diol
CID 101480426
(3S)-2-methyl-8-phenyloct-4-yn-3-ol
CID 11991329
2,2-dimethyl-8-phenyloctan-4-ol
CID 164840740
(5R)-11-phenylundec-1-en-6,8-diyn-5-ol
CID 54672664
(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
CID 154721237
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
7-phenylhepta-2,4-diyn-1-ol
CID 88731246
6-methylhept-5-en-3-ynylbenzene
CID 102338437
2,2-dimethylpropylbenzene;methanol
CID 157125736

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol?
The IUPAC name of (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol (CID 15880988) is (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol.
What is the SMILES notation for (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol?
The canonical SMILES for (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol is CC(C)(C)C[C@@H](O)C#CCCc1ccccc1.
What is the InChIKey of (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol?
The InChIKey is NFISIVCYFGPQFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22O/c1-16(2,3)13-15(17)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,15,17H,7,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol?
(4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol has a molecular weight of 230.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol is sourced from PubChem (CID 15880988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).