(3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol

C23H36O3 — CID 135008412

IUPAC(3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol
SMILESC/C(=C/C(C)CO)C/C(C)=C/C(C)C(O)[C@H](C)COCc1ccccc1
InChIInChI=1S/C23H36O3/c1-17(12-19(3)14-24)11-18(2)13-20(4)23(25)21(5)15-26-16-22-9-7-6-8-10-22/h6-10,12-13,19-21,23-25H,11,14-16H2,1-5H3/b17-12-,18-13+/t19?,20?,21-,23?/m1/s1
InChIKeyQHADFNDITFRKCI-KCZCSWOBSA-N
MW360.54 g/mol
LogP4.75
Rot. Bonds11

About (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol

(3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol (PubChem CID 135008412) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol.

Molecular Properties

Compound Name(3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol
PubChem CID135008412
Molecular FormulaC23H36O3
Molecular Weight360.54 g/mol
Exact Mass360.27
IUPAC Name(3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol
SMILESC/C(=C/C(C)CO)C/C(C)=C/C(C)C(O)[C@H](C)COCc1ccccc1
InChIInChI=1S/C23H36O3/c1-17(12-19(3)14-24)11-18(2)13-20(4)23(25)21(5)15-26-16-22-9-7-6-8-10-22/h6-10,12-13,19-21,23-25H,11,14-16H2,1-5H3/b17-12-,18-13+/t19?,20?,21-,23?/m1/s1
InChIKeyQHADFNDITFRKCI-KCZCSWOBSA-N
XLogP4.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol with MolForge

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Related Compounds

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CID 72723656
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CID 11099256
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(3S,4R,5R,6R)-2,4,6-trimethyl-7-phenylmethoxyhept-1-ene-3,5-diol
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(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
methyl (E,5S,6R,7S)-6-hydroxy-5,7-dimethyl-8-phenylmethoxyoct-3-enoate
CID 11278189
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
(2S,3R,4S)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 102572209
methyl (2S)-2-[(1S,2S)-1-hydroxy-2-methyl-3-phenylmethoxypropyl]pent-4-enoate
CID 11323799
(2R,3S,4R)-2,4-dimethyl-1-phenylmethoxyhept-5-yn-3-ol
CID 71414407
(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 10358052
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol?
The IUPAC name of (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol (CID 135008412) is (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol.
What is the SMILES notation for (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol?
The canonical SMILES for (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol is C/C(=C/C(C)CO)C/C(C)=C/C(C)C(O)[C@H](C)COCc1ccccc1.
What is the InChIKey of (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol?
The InChIKey is QHADFNDITFRKCI-KCZCSWOBSA-N. The full InChI is InChI=1S/C23H36O3/c1-17(12-19(3)14-24)11-18(2)13-20(4)23(25)21(5)15-26-16-22-9-7-6-8-10-22/h6-10,12-13,19-21,23-25H,11,14-16H2,1-5H3/b17-12-,18-13+/t19?,20?,21-,23?/m1/s1.
What are the key properties of (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol?
(3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol has a molecular weight of 360.54 g/mol, XLogP of 4.75, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol is sourced from PubChem (CID 135008412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).