(3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol

C18H28O2Se — CID 11131997

IUPAC(3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol
SMILESC=C(CO)[C@@H](C)CCC([Se]c1ccccc1)C(C)(C)OC
InChIInChI=1S/C18H28O2Se/c1-14(15(2)13-19)11-12-17(18(3,4)20-5)21-16-9-7-6-8-10-16/h6-10,14,17,19H,2,11-13H2,1,3-5H3/t14-,17?/m0/s1
InChIKeyMLASYKFQLUMXDQ-MBIQTGHCSA-N
MW355.38 g/mol
LogP3.19
Rot. Bonds9

About (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol

(3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol (PubChem CID 11131997) has the molecular formula C18H28O2Se and a molecular weight of 355.38 g/mol. Its IUPAC name is (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol.

Molecular Properties

Compound Name(3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol
PubChem CID11131997
Molecular FormulaC18H28O2Se
Molecular Weight355.38 g/mol
Exact Mass356.13
IUPAC Name(3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol
SMILESC=C(CO)[C@@H](C)CCC([Se]c1ccccc1)C(C)(C)OC
InChIInChI=1S/C18H28O2Se/c1-14(15(2)13-19)11-12-17(18(3,4)20-5)21-16-9-7-6-8-10-16/h6-10,14,17,19H,2,11-13H2,1,3-5H3/t14-,17?/m0/s1
InChIKeyMLASYKFQLUMXDQ-MBIQTGHCSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-phenylselanylbutan-1-ol
CID 10890597
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
(4R)-4-phenylselanylpentanoic acid
CID 101249625
[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
CID 67208370
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
CID 114228231
(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol
CID 10597762
methyl 2-phenylselanylpropanoate
CID 5323788
(2R)-1,1-bis(phenylselanyl)propan-2-ol
CID 71415322
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
(3R,4R,5S)-5-methoxy-4-phenylselanylhexan-3-ol
CID 134931525
methoxyselanylbenzene
CID 12890880

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol?
The IUPAC name of (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol (CID 11131997) is (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol.
What is the SMILES notation for (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol?
The canonical SMILES for (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol is C=C(CO)[C@@H](C)CCC([Se]c1ccccc1)C(C)(C)OC.
What is the InChIKey of (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol?
The InChIKey is MLASYKFQLUMXDQ-MBIQTGHCSA-N. The full InChI is InChI=1S/C18H28O2Se/c1-14(15(2)13-19)11-12-17(18(3,4)20-5)21-16-9-7-6-8-10-16/h6-10,14,17,19H,2,11-13H2,1,3-5H3/t14-,17?/m0/s1.
What are the key properties of (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol?
(3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol has a molecular weight of 355.38 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-3,7-dimethyl-2-methylidene-6-phenylselanyloctan-1-ol is sourced from PubChem (CID 11131997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).