8,8-dimethyl-1-phenylnon-6-yn-4-ol

C17H24O — CID 114190734

IUPAC8,8-dimethyl-1-phenylnon-6-yn-4-ol
SMILESCC(C)(C)C#CCC(O)CCCc1ccccc1
InChIInChI=1S/C17H24O/c1-17(2,3)14-8-13-16(18)12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16,18H,7,11-13H2,1-3H3
InChIKeyCLJNSBZMEHQGPC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.81
Rot. Bonds5

About 8,8-dimethyl-1-phenylnon-6-yn-4-ol

8,8-dimethyl-1-phenylnon-6-yn-4-ol (PubChem CID 114190734) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 8,8-dimethyl-1-phenylnon-6-yn-4-ol.

Molecular Properties

Compound Name8,8-dimethyl-1-phenylnon-6-yn-4-ol
PubChem CID114190734
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name8,8-dimethyl-1-phenylnon-6-yn-4-ol
SMILESCC(C)(C)C#CCC(O)CCCc1ccccc1
InChIInChI=1S/C17H24O/c1-17(2,3)14-8-13-16(18)12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16,18H,7,11-13H2,1-3H3
InChIKeyCLJNSBZMEHQGPC-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.81
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

2,2-dimethyl-8-phenyloctan-4-ol
CID 164840740
(2R)-5-phenylpentane-1,2-diol
CID 102483629
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
1-chloro-7-phenylheptan-4-ol
CID 54140253
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
1-methylsulfonyl-5-phenylpentan-2-ol
CID 15270511
3-methyl-6-phenylhexan-2-ol
CID 54498182
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-phenylnon-6-yn-4-ol?
The IUPAC name of 8,8-dimethyl-1-phenylnon-6-yn-4-ol (CID 114190734) is 8,8-dimethyl-1-phenylnon-6-yn-4-ol.
What is the SMILES notation for 8,8-dimethyl-1-phenylnon-6-yn-4-ol?
The canonical SMILES for 8,8-dimethyl-1-phenylnon-6-yn-4-ol is CC(C)(C)C#CCC(O)CCCc1ccccc1.
What is the InChIKey of 8,8-dimethyl-1-phenylnon-6-yn-4-ol?
The InChIKey is CLJNSBZMEHQGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-17(2,3)14-8-13-16(18)12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16,18H,7,11-13H2,1-3H3.
What are the key properties of 8,8-dimethyl-1-phenylnon-6-yn-4-ol?
8,8-dimethyl-1-phenylnon-6-yn-4-ol has a molecular weight of 244.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-phenylnon-6-yn-4-ol is sourced from PubChem (CID 114190734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).