6-methylidene-10-phenylmethoxyundec-7-yn-3-ol

C19H26O2 — CID 134938208

IUPAC6-methylidene-10-phenylmethoxyundec-7-yn-3-ol
SMILESC=C(C#CCC(C)OCc1ccccc1)CCC(O)CC
InChIInChI=1S/C19H26O2/c1-4-19(20)14-13-16(2)9-8-10-17(3)21-15-18-11-6-5-7-12-18/h5-7,11-12,17,19-20H,2,4,10,13-15H2,1,3H3
InChIKeyBHYIGWNEPJCYHD-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.09
Rot. Bonds8

About 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol

6-methylidene-10-phenylmethoxyundec-7-yn-3-ol (PubChem CID 134938208) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol.

Molecular Properties

Compound Name6-methylidene-10-phenylmethoxyundec-7-yn-3-ol
PubChem CID134938208
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name6-methylidene-10-phenylmethoxyundec-7-yn-3-ol
SMILESC=C(C#CCC(C)OCc1ccccc1)CCC(O)CC
InChIInChI=1S/C19H26O2/c1-4-19(20)14-13-16(2)9-8-10-17(3)21-15-18-11-6-5-7-12-18/h5-7,11-12,17,19-20H,2,4,10,13-15H2,1,3H3
InChIKeyBHYIGWNEPJCYHD-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.09
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

5-methylidene-9-phenylmethoxydec-6-yn-2-ol
CID 134938207
2-hydroxy-9-phenylmethoxydec-6-yn-5-one
CID 11334831
(9S)-1-hydroxy-9-phenylmethoxydec-6-yn-5-one
CID 71417914
butan-2-yloxymethylbenzene;ethane
CID 161043537
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene
CID 175428150
16-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300105
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol?
The IUPAC name of 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol (CID 134938208) is 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol.
What is the SMILES notation for 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol?
The canonical SMILES for 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol is C=C(C#CCC(C)OCc1ccccc1)CCC(O)CC.
What is the InChIKey of 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol?
The InChIKey is BHYIGWNEPJCYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-4-19(20)14-13-16(2)9-8-10-17(3)21-15-18-11-6-5-7-12-18/h5-7,11-12,17,19-20H,2,4,10,13-15H2,1,3H3.
What are the key properties of 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol?
6-methylidene-10-phenylmethoxyundec-7-yn-3-ol has a molecular weight of 286.41 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-10-phenylmethoxyundec-7-yn-3-ol is sourced from PubChem (CID 134938208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).