5-methylidene-9-phenylmethoxydec-6-yn-2-ol

C18H24O2 — CID 134938207

IUPAC5-methylidene-9-phenylmethoxydec-6-yn-2-ol
SMILESC=C(C#CCC(C)OCc1ccccc1)CCC(C)O
InChIInChI=1S/C18H24O2/c1-15(12-13-16(2)19)8-7-9-17(3)20-14-18-10-5-4-6-11-18/h4-6,10-11,16-17,19H,1,9,12-14H2,2-3H3
InChIKeyRNBQOZKLGXWLOR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.70
Rot. Bonds7

About 5-methylidene-9-phenylmethoxydec-6-yn-2-ol

5-methylidene-9-phenylmethoxydec-6-yn-2-ol (PubChem CID 134938207) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-methylidene-9-phenylmethoxydec-6-yn-2-ol.

Molecular Properties

Compound Name5-methylidene-9-phenylmethoxydec-6-yn-2-ol
PubChem CID134938207
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name5-methylidene-9-phenylmethoxydec-6-yn-2-ol
SMILESC=C(C#CCC(C)OCc1ccccc1)CCC(C)O
InChIInChI=1S/C18H24O2/c1-15(12-13-16(2)19)8-7-9-17(3)20-14-18-10-5-4-6-11-18/h4-6,10-11,16-17,19H,1,9,12-14H2,2-3H3
InChIKeyRNBQOZKLGXWLOR-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methylidene-10-phenylmethoxyundec-7-yn-3-ol
CID 134938208
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CID 13411955
(9S)-1-hydroxy-9-phenylmethoxydec-6-yn-5-one
CID 71417914
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene
CID 175428150
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
butan-2-yloxymethylbenzene;ethane
CID 161043537
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
(4S)-4-phenylmethoxypentan-2-one
CID 13214355

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-9-phenylmethoxydec-6-yn-2-ol?
The IUPAC name of 5-methylidene-9-phenylmethoxydec-6-yn-2-ol (CID 134938207) is 5-methylidene-9-phenylmethoxydec-6-yn-2-ol.
What is the SMILES notation for 5-methylidene-9-phenylmethoxydec-6-yn-2-ol?
The canonical SMILES for 5-methylidene-9-phenylmethoxydec-6-yn-2-ol is C=C(C#CCC(C)OCc1ccccc1)CCC(C)O.
What is the InChIKey of 5-methylidene-9-phenylmethoxydec-6-yn-2-ol?
The InChIKey is RNBQOZKLGXWLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-15(12-13-16(2)19)8-7-9-17(3)20-14-18-10-5-4-6-11-18/h4-6,10-11,16-17,19H,1,9,12-14H2,2-3H3.
What are the key properties of 5-methylidene-9-phenylmethoxydec-6-yn-2-ol?
5-methylidene-9-phenylmethoxydec-6-yn-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-9-phenylmethoxydec-6-yn-2-ol is sourced from PubChem (CID 134938207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).